1.0 2010-04-08 22:14:35 UTC 2015-07-21 06:38:35 UTC FDB019777 5-Ethyl-4-methyl-2-pentylthiazole Classified as a Natural Food Constituent (code WA) in the DFC C11H19NS 197.34 197.123820303 5-ethyl-4-methyl-2-pentyl-1,3-thiazole 5-ethyl-4-methyl-2-pentyl-1,3-thiazole 96693-87-7 CCCCCC1=NC(C)=C(CC)S1 InChI=1S/C11H19NS/c1-4-6-7-8-11-12-9(3)10(5-2)13-11/h4-8H2,1-3H3 YHXYVNQEOGPEKA-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 4.85 ALOGPS logs -4.08 ALOGPS solubility 1.65e-02 g/l ALOGPS logp 4.01 ChemAxon pka_strongest_basic 3.77 ChemAxon iupac 5-ethyl-4-methyl-2-pentyl-1,3-thiazole ChemAxon average_mass 197.34 ChemAxon mono_mass 197.123820303 ChemAxon smiles CCCCCC1=NC(C)=C(CC)S1 ChemAxon formula C11H19NS ChemAxon inchi InChI=1S/C11H19NS/c1-4-6-7-8-11-12-9(3)10(5-2)13-11/h4-8H2,1-3H3 ChemAxon inchikey YHXYVNQEOGPEKA-UHFFFAOYSA-N ChemAxon polar_surface_area 12.89 ChemAxon refractivity 58.31 ChemAxon polarizability 24.56 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8634 Specdb::MsIr 8635 Specdb::CMs 19088 Specdb::CMs 137775 Specdb::CMs 145509 Specdb::MsMs 308401 Specdb::MsMs 308402 Specdb::MsMs 308403 Specdb::MsMs 352567 Specdb::MsMs 352568 Specdb::MsMs 352569 Specdb::MsMs 2666731 Specdb::MsMs 2666732 Specdb::MsMs 2666733 Specdb::MsMs 3011666 Specdb::MsMs 3011667 Specdb::MsMs 3011668 HMDB40090 #<Reference:0x000055ce321a3e88>