1.0 2010-04-08 22:06:11 UTC 2025-11-18 22:55:49 UTC FDB004305 2-Acetyl-4-methylthiazole 2-acetyl-4-methylthiazole is a member of the class of compounds known as aryl alkyl ketones. Aryl alkyl ketones are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. 2-acetyl-4-methylthiazole is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2-acetyl-4-methylthiazole can be found in kohlrabi, which makes 2-acetyl-4-methylthiazole a potential biomarker for the consumption of this food product. 1-(4-Methylthiazol-2-yl)ethanone 4-methyl-2-acetylthiazole C6H7NOS 141.191 141.024834541 1-(4-methyl-1,3-thiazol-2-yl)ethan-1-one 1-(4-methyl-1,3-thiazol-2-yl)ethanone CC(=O)C1=NC(C)=CS1 InChI=1S/C6H7NOS/c1-4-3-9-6(7-4)5(2)8/h3H,1-2H3 QPUIPSFYQGKAFL-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. Aryl alkyl ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds 2,4-disubstituted thiazoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds 2,4-disubstituted 1,3-thiazole Aromatic heteromonocyclic compound Aryl alkyl ketone Azacycle Azole Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Thiazole logp 1.18 ALOGPS logs -1.89 ALOGPS solubility 1.82e+00 g/l ALOGPS logp 0.7 ChemAxon pka_strongest_acidic 13.85 ChemAxon pka_strongest_basic 0.48 ChemAxon iupac 1-(4-methyl-1,3-thiazol-2-yl)ethan-1-one ChemAxon average_mass 141.191 ChemAxon mono_mass 141.024834541 ChemAxon smiles CC(=O)C1=NC(C)=CS1 ChemAxon formula C6H7NOS ChemAxon inchi InChI=1S/C6H7NOS/c1-4-3-9-6(7-4)5(2)8/h3H,1-2H3 ChemAxon inchikey QPUIPSFYQGKAFL-UHFFFAOYSA-N ChemAxon polar_surface_area 29.96 ChemAxon refractivity 35.74 ChemAxon polarizability 14.37 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 71187 Specdb::MsMs 71188 Specdb::MsMs 71189 Specdb::MsMs 129816 Specdb::MsMs 129817 Specdb::MsMs 129818 Specdb::MsMs 3600245 Specdb::MsMs 3600246 Specdb::MsMs 3600247 Specdb::MsMs 3600248 Specdb::MsMs 3600249 Specdb::MsMs 3600250 Kohlrabi Type 1 specific Brassica oleracea var. gongylodes 109379 0.002 0.002 0.002 mg/100 g