1.0 2010-04-08 22:14:35 UTC 2019-11-26 03:17:51 UTC FDB019782 5-Ethyl-4-methyl-2-octylthiazole Component of cooked beef aroma. 5-Ethyl-4-methyl-2-octylthiazole is found in animal foods. C14H25NS 239.42 239.170770495 5-ethyl-4-methyl-2-octyl-1,3-thiazole 5-ethyl-4-methyl-2-octyl-1,3-thiazole 192998-89-3 CCCCCCCCC1=NC(C)=C(CC)S1 InChI=1S/C14H25NS/c1-4-6-7-8-9-10-11-14-15-12(3)13(5-2)16-14/h4-11H2,1-3H3 KABDBXXFTIHONZ-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 5.95 ALOGPS logs -5.02 ALOGPS solubility 2.28e-03 g/l ALOGPS logp 5.34 ChemAxon pka_strongest_basic 3.77 ChemAxon iupac 5-ethyl-4-methyl-2-octyl-1,3-thiazole ChemAxon average_mass 239.42 ChemAxon mono_mass 239.170770495 ChemAxon smiles CCCCCCCCC1=NC(C)=C(CC)S1 ChemAxon formula C14H25NS ChemAxon inchi InChI=1S/C14H25NS/c1-4-6-7-8-9-10-11-14-15-12(3)13(5-2)16-14/h4-11H2,1-3H3 ChemAxon inchikey KABDBXXFTIHONZ-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 72.11 ChemAxon polarizability 30.92 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14274 Specdb::CMs 172909 Specdb::MsMs 297496 Specdb::MsMs 297497 Specdb::MsMs 297498 Specdb::MsMs 339049 Specdb::MsMs 339050 Specdb::MsMs 339051 Specdb::MsMs 2846897 Specdb::MsMs 2846898 Specdb::MsMs 2846899 Specdb::MsMs 2862873 Specdb::MsMs 2862874 Specdb::MsMs 2862875 HMDB40095 #<Reference:0x000055ce3204f7d0>