1.0 2010-04-08 22:14:34 UTC 2019-11-26 03:17:50 UTC FDB019765 5-Ethyl-2-methyl-4-propylthiazole Volatile flavour component of roast beef. 5-Ethyl-2-methyl-4-propylthiazole is found in animal foods. 5-Ethyl-2-methyl-4-propyl-1,3-thiazole 5-Ethyl-2-methyl-4-propyl-thiazole Thiazole, 5-ethyl-2-methyl-4-propyl- C9H15NS 169.287 169.092520175 5-ethyl-2-methyl-4-propyl-1,3-thiazole 5-ethyl-2-methyl-4-propyl-1,3-thiazole 4276-67-9 CCCC1=C(CC)SC(C)=N1 InChI=1S/C9H15NS/c1-4-6-8-9(5-2)11-7(3)10-8/h4-6H2,1-3H3 YTFYPHBAFRPICF-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 4.16 ALOGPS logs -3.24 ALOGPS solubility 9.71e-02 g/l ALOGPS logp 3.12 ChemAxon pka_strongest_basic 3.83 ChemAxon iupac 5-ethyl-2-methyl-4-propyl-1,3-thiazole ChemAxon average_mass 169.287 ChemAxon mono_mass 169.092520175 ChemAxon smiles CCCC1=C(CC)SC(C)=N1 ChemAxon formula C9H15NS ChemAxon inchi InChI=1S/C9H15NS/c1-4-6-8-9(5-2)11-7(3)10-8/h4-6H2,1-3H3 ChemAxon inchikey YTFYPHBAFRPICF-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 49.11 ChemAxon polarizability 20.22 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8610 Specdb::MsIr 8611 Specdb::CMs 9669 Specdb::CMs 175084 Specdb::MsMs 287341 Specdb::MsMs 287342 Specdb::MsMs 287343 Specdb::MsMs 326158 Specdb::MsMs 326159 Specdb::MsMs 326160 Specdb::MsMs 2421951 Specdb::MsMs 2421952 Specdb::MsMs 2421953 Specdb::MsMs 2513623 Specdb::MsMs 2513624 Specdb::MsMs 2513625 HMDB40078 #<Reference:0x000055ce328a7220>