1.0 2010-04-08 22:14:35 UTC 2019-11-26 03:17:51 UTC FDB019780 4,5-Dimethyl-2-octylthiazole Flavour component of fried chicken and roast beef. 4,5-Dimethyl-2-octylthiazole is found in animal foods. C13H23NS 225.393 225.155120431 4,5-dimethyl-2-octyl-1,3-thiazole 4,5-dimethyl-2-octyl-1,3-thiazole 87262-52-0 CCCCCCCCC1=NC(C)=C(C)S1 InChI=1S/C13H23NS/c1-4-5-6-7-8-9-10-13-14-11(2)12(3)15-13/h4-10H2,1-3H3 HGRFDZGIRVFJRV-UHFFFAOYSA-N belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. 2,4,5-trisubstituted thiazoles are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only. 2,4,5-trisubstituted thiazoles Organic compounds Organoheterocyclic compounds Azoles Thiazoles Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds 2,4,5-trisubstituted 1,3-thiazole Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound logp 5.39 ALOGPS logs -4.82 ALOGPS solubility 3.40e-03 g/l ALOGPS logp 4.9 ChemAxon pka_strongest_basic 3.84 ChemAxon iupac 4,5-dimethyl-2-octyl-1,3-thiazole ChemAxon average_mass 225.393 ChemAxon mono_mass 225.155120431 ChemAxon smiles CCCCCCCCC1=NC(C)=C(C)S1 ChemAxon formula C13H23NS ChemAxon inchi InChI=1S/C13H23NS/c1-4-5-6-7-8-9-10-13-14-11(2)12(3)15-13/h4-10H2,1-3H3 ChemAxon inchikey HGRFDZGIRVFJRV-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 67.59 ChemAxon polarizability 28.93 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26583 Specdb::CMs 148086 Specdb::MsMs 324928 Specdb::MsMs 324929 Specdb::MsMs 324930 Specdb::MsMs 373468 Specdb::MsMs 373469 Specdb::MsMs 373470 Specdb::MsMs 2359326 Specdb::MsMs 2359327 Specdb::MsMs 2359328 Specdb::MsMs 2605796 Specdb::MsMs 2605797 Specdb::MsMs 2605798 HMDB40093 #<Reference:0x000055ce31cb2960>