{"ymdb_id":"YMDB01496","created_at":"2011-07-25T20:45:47.000Z","updated_at":"2016-09-08T18:36:45.000Z","name":"2-Isopropyl-4-methylthiazole","cas":"15679-13-7","state":null,"melting_point":null,"description":"2-Isopropyl-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. [PMID: 12358442]","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":"61808","cs_id":"55688","foodb_id":"FDB016151","wikipedia_link":null,"biocyc_id":null,"iupac":"4-methyl-2-(propan-2-yl)-1,3-thiazole","traditional_iupac":"2-isopropyl-4-methyl-1,3-thiazole","logp":"2.1299956213333333","pka":null,"alogps_solubility":"6.76e-01 g/l","alogps_logp":"2.79","alogps_logs":"-2.32","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"12.89","refractivity":"39.50000000000001","polarizability":"16.13964546242505","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"3.2201637609212885","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":["2-Isopropyl-4-methyl-1,3-thiazole","2-Isopropyl-4-methylthiazole","Thiazole, 2-isopropyl-4-methyl-","Thiazole, 4-methyl-2-isopropyl"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":null,"citation":"Yannai S. Dictionary of food compounds with CD-ROM: additives, flavors, and ingredients. Chapman \u0026 Hall/CRC; 2004."}],"proteins":[]}