1.0 2010-04-08 22:14:35 UTC 2015-07-21 06:38:41 UTC FDB019793 4-Methyl-2-pentylthiazole Classified as a Natural Food Constituent (code WA) in the DFC C9H15NS 169.287 169.092520175 4-methyl-2-pentyl-1,3-thiazole 4-methyl-2-pentyl-1,3-thiazole 96693-92-4 CCCCCC1=NC(C)=CS1 InChI=1S/C9H15NS/c1-3-4-5-6-9-10-8(2)7-11-9/h7H,3-6H2,1-2H3 FLCKZQLXJGGADB-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 Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds 2,4-disubstituted 1,3-thiazole Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound logp 3.97 ALOGPS logs -3.20 ALOGPS solubility 1.08e-01 g/l ALOGPS logp 2.92 ChemAxon pka_strongest_basic 3.31 ChemAxon iupac 4-methyl-2-pentyl-1,3-thiazole ChemAxon average_mass 169.287 ChemAxon mono_mass 169.092520175 ChemAxon smiles CCCCCC1=NC(C)=CS1 ChemAxon formula C9H15NS ChemAxon inchi InChI=1S/C9H15NS/c1-3-4-5-6-9-10-8(2)7-11-9/h7H,3-6H2,1-2H3 ChemAxon inchikey FLCKZQLXJGGADB-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 48.73 ChemAxon polarizability 20.47 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8658 Specdb::MsIr 8659 Specdb::CMs 11122 Specdb::CMs 160766 Specdb::MsMs 290521 Specdb::MsMs 290522 Specdb::MsMs 290523 Specdb::MsMs 330217 Specdb::MsMs 330218 Specdb::MsMs 330219 Specdb::MsMs 2315945 Specdb::MsMs 2315946 Specdb::MsMs 2315947 Specdb::MsMs 2623034 Specdb::MsMs 2623035 Specdb::MsMs 2623036 HMDB40106 #<Reference:0x00007f093c0c3c20>