{"ymdb_id":"YMDB01510","created_at":"2011-07-25T20:47:24.000Z","updated_at":"2016-09-08T18:36:46.000Z","name":"4-Isopropyl-2-methylthiazole","cas":"32272-52-9","state":null,"melting_point":null,"description":"4-Isopropyl-2-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":"520569","cs_id":"454084","foodb_id":"FDB019787","wikipedia_link":null,"biocyc_id":null,"iupac":"2-methyl-4-(propan-2-yl)-1,3-thiazole","traditional_iupac":"4-isopropyl-2-methyl-1,3-thiazole","logp":"2.1299956213333333","pka":null,"alogps_solubility":"6.94e-01 g/l","alogps_logp":"2.81","alogps_logs":"-2.31","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"1","polar_surface_area":"12.89","refractivity":"39.50000000000001","polarizability":"16.14126459890729","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"3.294359105504939","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-methyl-4-(1-methylethyl)thiazole","4-Isopropyl-2-methyl-1,3-thiazole","4-Isopropyl-2-methylthiazole","Thiazole, 4-isopropyl-2-methyl-"],"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":[]}