{"ymdb_id":"YMDB01620","created_at":"2011-08-31T03:28:56.000Z","updated_at":"2016-09-08T18:36:54.000Z","name":"4-Methylthiazole","cas":"693-95-8","state":"Solid","melting_point":null,"description":"4-Methylthiazole is a thiazole, a type of nitrogenous heterocycle compound. Thiazoles are found in different processed foods and are the products of the Maillard reaction, which involves an amino acid and a reducing sugar. Thiazoles are volatile compounds responsible for popcorn, roasted, and peanuts aromas. 4-Methylthiazole is is also reported to be responsiblefor a hazelnut aroma in white Burgundys. [PMID: 12358442]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"0.97 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"35626","hmdb_id":null,"kegg_id":"C04294","pubchem_id":"12748","cs_id":"12224","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"4-methyl-1,3-thiazole","traditional_iupac":"4-methylthiazole","logp":"0.7634087653333332","pka":null,"alogps_solubility":"3.36e+00 g/l","alogps_logp":"1.29","alogps_logs":"-1.47","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"0","polar_surface_area":"12.89","refractivity":"25.8579","polarizability":"10.097993412197646","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"2.7448048933907576","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"1","mddr_like_rule":"0","synonyms":["4-Methyl-1,3-thiazole","4-Methyl-5-(2-hydroxyethyl)-thiazole","4-Methyl-5-(2'-hydroxyethyl)-thiazole","5-(2-Hydroxyethyl)-4-methylthiazole","Thiazole, 4-methyl-"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}