1.0 2010-04-08 22:08:50 UTC 2018-05-28 23:26:06 UTC FDB009862 2-(4-Methyl-5-thiazolyl)ethyl decanoate It is used as a food additive . C16H27NO2S 297.456 297.176249803 2-(4-methyl-1,3-thiazol-5-yl)ethyl decanoate 2-(4-methyl-1,3-thiazol-5-yl)ethyl decanoate 101426-31-7 CCCCCCCCCC(=O)OCCC1=C(C)N=CS1 InChI=1S/C16H27NO2S/c1-3-4-5-6-7-8-9-10-16(18)19-12-11-15-14(2)17-13-20-15/h13H,3-12H2,1-2H3 RUOLKIITSCGKJQ-UHFFFAOYSA-N belongs to the class of organic compounds known as 4,5-disubstituted thiazoles. 4,5-disubstituted thiazoles are compounds containing a thiazole ring substituted at positions 4 and 5 only. 4,5-disubstituted thiazoles Organic compounds Organoheterocyclic compounds Azoles Thiazoles Aromatic heteromonocyclic compounds Azacyclic compounds Carbonyl compounds Carboxylic acid esters Fatty acid esters Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds 4,5-disubstituted 1,3-thiazole Aromatic heteromonocyclic compound Azacycle Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Heteroaromatic compound Hydrocarbon derivative Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound logp 5.72 ALOGPS logs -4.98 ALOGPS solubility 3.13e-03 g/l ALOGPS logp 4.67 ChemAxon pka_strongest_basic 2.52 ChemAxon iupac 2-(4-methyl-1,3-thiazol-5-yl)ethyl decanoate ChemAxon average_mass 297.456 ChemAxon mono_mass 297.176249803 ChemAxon smiles CCCCCCCCCC(=O)OCCC1=C(C)N=CS1 ChemAxon formula C16H27NO2S ChemAxon inchi InChI=1S/C16H27NO2S/c1-3-4-5-6-7-8-9-10-16(18)19-12-11-15-14(2)17-13-20-15/h13H,3-12H2,1-2H3 ChemAxon inchikey RUOLKIITSCGKJQ-UHFFFAOYSA-N ChemAxon polar_surface_area 39.19 ChemAxon refractivity 83.31 ChemAxon polarizability 35.76 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24092 Specdb::CMs 171529 Specdb::MsMs 51447 Specdb::MsMs 51448 Specdb::MsMs 51449 Specdb::MsMs 157755 Specdb::MsMs 157756 Specdb::MsMs 157757 Specdb::MsMs 2756425 Specdb::MsMs 2756426 Specdb::MsMs 2756427 Specdb::MsMs 2948616 Specdb::MsMs 2948617 Specdb::MsMs 2948618 HMDB32419 #<Reference:0x000055ce2b707200> nutty roasted