1.0 2010-04-08 22:04:45 UTC 2015-07-20 21:35:46 UTC FDB000907 Thiazole Flavouring ingredient The thiazole moiety is a crucial part of vitamin B1 (thiamine) and epothilone. Other important thiazoles are benzothiazoles, for example, the firefly chemical luciferin.; Thiazole, or 1,3-thiazole, is a clear to pale yellow flammable liquid with a pyridine-like odor and the molecular formula C3H3NS. It is a 5-membered ring, in which two of the vertices of the ring are nitrogen and sulfur, and the other three are carbons.; Thiazoles are a class of organic compounds related to azoles with a common thiazole functional group. Thiazoles are aromatic. 1,3-Thiazole 5H-1,3-thiazole FEMA 3615 LOM Photinus luciferin TZ C3H3NS 85.128 84.998619791 1,3-thiazole thiazole 288-47-1 S1C=CN=C1 InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H FZWLAAWBMGSTSO-UHFFFAOYSA-N belongs to the class of organic compounds known as thiazoles. These are heterocyclic compounds containing a five-member aromatic ring made up of one sulfur atom, one nitrogen, and three carbon atoms. Thiazoles Organic compounds Organoheterocyclic compounds Azoles Thiazoles Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Thiazole 1,3-thiazole mancude organic heteromonocyclic parent monocyclic heteroarene Liquid logp 0.89 ALOGPS logs -1.23 ALOGPS solubility 5.01e+00 g/l ALOGPS logp 0.63 ChemAxon pka_strongest_basic 2.89 ChemAxon iupac 1,3-thiazole ChemAxon average_mass 85.128 ChemAxon mono_mass 84.998619791 ChemAxon smiles S1C=CN=C1 ChemAxon formula C3H3NS ChemAxon inchi InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H ChemAxon inchikey FZWLAAWBMGSTSO-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 21.27 ChemAxon polarizability 7.93 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13895 Specdb::CMs 148400 Specdb::MsIr 3617 Specdb::MsIr 3618 Specdb::NmrOneD 159090 Specdb::NmrOneD 159091 Specdb::NmrOneD 159092 Specdb::NmrOneD 159093 Specdb::NmrOneD 159094 Specdb::NmrOneD 159095 Specdb::NmrOneD 159096 Specdb::NmrOneD 159097 Specdb::NmrOneD 159098 Specdb::NmrOneD 159099 Specdb::NmrOneD 159100 Specdb::NmrOneD 159101 Specdb::NmrOneD 159102 Specdb::NmrOneD 159103 Specdb::NmrOneD 159104 Specdb::NmrOneD 159105 Specdb::NmrOneD 159106 Specdb::NmrOneD 159107 Specdb::NmrOneD 159108 Specdb::NmrOneD 159109 Specdb::MsMs 101235 Specdb::MsMs 101236 Specdb::MsMs 101237 Specdb::MsMs 166806 Specdb::MsMs 166807 Specdb::MsMs 166808 Specdb::MsMs 452292 Specdb::MsMs 2238198 Specdb::MsMs 2782807 Specdb::MsMs 2782808 Specdb::MsMs 2782809 Specdb::MsMs 2926510 Specdb::MsMs 2926511 Specdb::MsMs 2926512 HMDB29713 43732 LOM #<Reference:0x000055ce31facee0> #<Reference:0x000055ce31facd28> meaty nutty pyridine