1.0 2011-09-21 00:18:50 UTC 2015-10-09 22:31:18 UTC FDB022737 Famotidine Famotidine is a histamine H2-receptor antagonist that inhibits stomach acid production, and is commonly used in the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD/GORD). It is commonly marketed by Merck under the trade names Pepcidine and Pepcid. [HMDB] (1-amino-3-(((2-((Diaminomethylene)amino)-4-thiazolyl)methyl)thio)propylidene)sulfamide (1-amino-3-(((2-((Diaminomethylene)amino)-4-thiazolyl)methyl)thio)propylidene)sulphamide 3-(((2-((Aminoiminomethyl)amino)-4-thiazolyl)methyl)thio)-N-(aminosulfonyl)propanimidamide 3-(((2-((Aminoiminomethyl)amino)-4-thiazolyl)methyl)thio)-N-(aminosulphonyl)propanimidamide Amfamox Antodine Apo-Famotidine Apogastine Bestidine Blocacid Brolin Cepal Confobos Cronol Cuantin Famocid Famodar Famodil Famodin Famodine Famogard Famonit Famopsin Famos Famosan Famotal Famotep Famotidina Famotidine Famotidinum Famotin Famovane Famowal Gastridan Gastridin Gastrion Gastro Gastrodomina Gastrofam Gastropen Gastrosidin Hacip Huberdina Ingastri Invigan Lecedil Logos Mensoma Midefam Mosul Motiax Muclox Mylanta AR N-Sulfamoyl-3-((2-guanidinothiazol-4-yl)methylthio)propionamide N-Sulphamoyl-3-((2-guanidinothiazol-4-yl)methylthio)propionamide Neocidine Nevofam Notidin Novo-Famotidine Nulceran Nulcerin Panalba Pepcid Pepcidin Pepcidin Pepcidine Pepdine Pepdul Pepfamin Peptan Peptidin Purifam Quamatel Quamtel Renapepsa Restadin Rogasti Rubacina Tamin Tipodex Topcid Ulcatif Ulceprax Ulcofam Ulfagel Ulfam Ulfamid Ulfinol Ulgarine Vagostal C8H15N7O2S3 337.445 337.044934829 3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoylpropanimidamide famotidine 76824-35-6 NC(N)=NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1 InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) XUFQPHANEAPEMJ-UHFFFAOYSA-N belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. 2,4-disubstituted thiazoles are compounds containing a thiazole ring substituted at the positions 2 and 3. 2,4-disubstituted thiazoles Organic compounds Organoheterocyclic compounds Azoles Thiazoles Aromatic heteromonocyclic compounds Amidines Azacyclic compounds Dialkylthioethers Guanidines Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organic sulfuric acids and derivatives Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds 2,4-disubstituted 1,3-thiazole Amidine Aromatic heteromonocyclic compound Azacycle Dialkylthioether Guanidine Heteroaromatic compound Hydrocarbon derivative Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organonitrogen compound Organopnictogen compound Organosulfur compound Propargyl-type 1,3-dipolar organic compound Sulfenyl compound Thioether 1,3-thiazole guanidines sulfonamide Solid logp -0.20 ALOGPS logs -3.10 ALOGPS solubility 2.71e-01 g/l ALOGPS logp -2 ChemAxon pka_strongest_acidic 9.29 ChemAxon pka_strongest_basic 8.38 ChemAxon iupac 3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-yl}methyl)sulfanyl]-N'-sulfamoylpropanimidamide ChemAxon average_mass 337.445 ChemAxon mono_mass 337.044934829 ChemAxon smiles NC(N)=NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1 ChemAxon formula C8H15N7O2S3 ChemAxon inchi InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14) ChemAxon inchikey XUFQPHANEAPEMJ-UHFFFAOYSA-N ChemAxon polar_surface_area 175.83 ChemAxon refractivity 80.46 ChemAxon polarizability 32.03 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1738 Specdb::CMs 8366 Specdb::CMs 136533 Specdb::CMs 144267 Specdb::NmrOneD 1798 Specdb::NmrOneD 148620 Specdb::NmrOneD 148621 Specdb::NmrOneD 148622 Specdb::NmrOneD 148623 Specdb::NmrOneD 148624 Specdb::NmrOneD 148625 Specdb::NmrOneD 148626 Specdb::NmrOneD 148627 Specdb::NmrOneD 148628 Specdb::NmrOneD 148629 Specdb::NmrOneD 148630 Specdb::NmrOneD 148631 Specdb::NmrOneD 148632 Specdb::NmrOneD 148633 Specdb::NmrOneD 148634 Specdb::NmrOneD 148635 Specdb::NmrOneD 148636 Specdb::NmrOneD 148637 Specdb::NmrOneD 148638 Specdb::NmrOneD 148639 Specdb::MsMs 1837 Specdb::MsMs 1838 Specdb::MsMs 1839 Specdb::MsMs 259332 Specdb::MsMs 259333 Specdb::MsMs 259334 Specdb::MsMs 279270 Specdb::MsMs 279271 Specdb::MsMs 279272 Specdb::MsMs 374308 Specdb::MsMs 374465 Specdb::MsMs 439971 Specdb::MsMs 450265 Specdb::MsMs 450266 Specdb::MsMs 450267 Specdb::MsMs 450268 Specdb::MsMs 450816 Specdb::MsMs 451162 Specdb::MsMs 2226417 Specdb::MsMs 2226918 Specdb::MsMs 2226980 Specdb::MsMs 2227700 Specdb::MsMs 2227753 Specdb::MsMs 2227775 Specdb::MsMs 2228321 HMDB01919 4975 bitter 4-aminobutyrate aminotransferase, mitochondrial P80404 ABAT 5-oxoprolinase O14841 OPLAH Alanine aminotransferase 1 P24298 GPT Alanine aminotransferase 2 Q8TD30 GPT2 Alanine--glyoxylate aminotransferase 2, mitochondrial Q9BYV1 AGXT2 Aminoadipate-semialdehyde synthase A4D0W4 AASS Arginine decarboxylase Q96A70 ADC Asparagine synthetase [glutamine-hydrolyzing] P08243 ASNS Aspartate aminotransferase, cytoplasmic P17174 GOT1 Aspartate aminotransferase, mitochondrial P00505 GOT2 Bifunctional glutamate/proline--tRNA ligase P07814 EPRS Branched-chain-amino-acid aminotransferase, cytosolic P54687 BCAT1 Branched-chain-amino-acid aminotransferase, mitochondrial O15382 BCAT2 CTP synthase 2 Q9NRF8 CTPS2 Delta-1-pyrroline-5-carboxylate synthase P54886 ALDH18A1 Folylpolyglutamate synthase, mitochondrial Q05932 FPGS Formimidoyltransferase-cyclodeaminase O95954 FTCD Gamma-glutamyltransferase 5 P36269 GGT5 Gamma-glutamyltransferase 6 Q6P531 GGT6 Gamma-glutamyltranspeptidase 1 P19440 GGT1 Glutamate decarboxylase 1 Q99259 GAD1 Glutamate decarboxylase 2 Q05329 GAD2 Glutamate--cysteine ligase catalytic subunit P48506 GCLC Glutaminase kidney isoform, mitochondrial O94925 GLS Glutaminase liver isoform, mitochondrial Q9UI32 GLS2 Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 1 Q06210 GFPT1 Glutamine--fructose-6-phosphate aminotransferase [isomerizing] 2 O94808 GFPT2 Histamine H2 receptor P25021 HRH2 N-acetylglutamate synthase, mitochondrial Q8N159 NAGS Ornithine aminotransferase, mitochondrial P04181 OAT Phosphoserine aminotransferase Q9Y617 PSAT1 Probable glutamate--tRNA ligase, mitochondrial Q5JPH6 EARS2 Tyrosine aminotransferase P17735 TAT