1.0 2010-04-08 22:09:23 UTC 2019-11-26 03:04:23 UTC FDB010962 2,5-Dimethylthiazole Organoleptic agent. Food flavour/aroma component. Reported in roasted peanuts and roasted sesame seeds together with isomers. 2,5-Dimethylthiazole is found in tea, cereals and cereal products, and nuts. 2,5-Dimethyl-1,3-thiazole 2,5-Dimethyl-thiazole Thiazole, 2,5-dimethyl- C5H7NS 113.181 113.029919919 2,5-dimethyl-1,3-thiazole 2,5-dimethyl-1,3-thiazole 4175-66-0 CC1=CN=C(C)S1 InChI=1S/C5H7NS/c1-4-3-6-5(2)7-4/h3H,1-2H3 WVUHHPQQQLBMOE-UHFFFAOYSA-N belongs to the class of organic compounds known as 2,5-disubstituted thiazoles. 2,5-disubstituted thiazoles are compounds containing a thiazole ring substituted at positions 2 and 5 only. 2,5-disubstituted thiazoles Organic compounds Organoheterocyclic compounds Azoles Thiazoles Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds 2,5-disubstituted 1,3-thiazole Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound logp 1.43 ALOGPS logs -1.76 ALOGPS solubility 1.97e+00 g/l ALOGPS logp 1.4 ChemAxon pka_strongest_basic 4.14 ChemAxon iupac 2,5-dimethyl-1,3-thiazole ChemAxon average_mass 113.181 ChemAxon mono_mass 113.029919919 ChemAxon smiles CC1=CN=C(C)S1 ChemAxon formula C5H7NS ChemAxon inchi InChI=1S/C5H7NS/c1-4-3-6-5(2)7-4/h3H,1-2H3 ChemAxon inchikey WVUHHPQQQLBMOE-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 30.76 ChemAxon polarizability 12.18 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13686 Specdb::CMs 146264 Specdb::MsIr 5864 Specdb::MsIr 5865 Specdb::MsMs 62682 Specdb::MsMs 62683 Specdb::MsMs 62684 Specdb::MsMs 119457 Specdb::MsMs 119458 Specdb::MsMs 119459 Specdb::MsMs 2382020 Specdb::MsMs 2382021 Specdb::MsMs 2382022 Specdb::MsMs 2581155 Specdb::MsMs 2581156 Specdb::MsMs 2581157 Specdb::NmrOneD 117198 Specdb::NmrOneD 117199 Specdb::NmrOneD 117200 Specdb::NmrOneD 117201 Specdb::NmrOneD 117202 Specdb::NmrOneD 117203 Specdb::NmrOneD 117204 Specdb::NmrOneD 117205 Specdb::NmrOneD 117206 Specdb::NmrOneD 117207 Specdb::NmrOneD 117208 Specdb::NmrOneD 117209 Specdb::NmrOneD 117210 Specdb::NmrOneD 117211 Specdb::NmrOneD 117212 Specdb::NmrOneD 117213 Specdb::NmrOneD 117214 Specdb::NmrOneD 117215 Specdb::NmrOneD 117216 Specdb::NmrOneD 117217 HMDB32975 #<Reference:0x000055ce32025020> Black tea Type 1 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Green tea Type 1 Herbal tea Type 1 Nuts Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442 nutty roasted