{"ymdb_id":"YMDB01508","created_at":"2011-07-25T20:47:11.000Z","updated_at":"2016-09-08T18:36:46.000Z","name":"4-Ethyl-2-isopropyl-5-methylthiazole","cas":"87116-68-5","state":null,"melting_point":null,"description":"4-Ethyl-2-isopropyl-5-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":null,"cs_id":"515537","foodb_id":"FDB019768","wikipedia_link":null,"biocyc_id":null,"iupac":"4-ethyl-5-methyl-2-(propan-2-yl)-1,3-thiazole","traditional_iupac":"4-ethyl-2-isopropyl-5-methyl-1,3-thiazole","logp":"3.4763922776666663","pka":null,"alogps_solubility":"9.08e-02 g/l","alogps_logp":"3.85","alogps_logs":"-3.27","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"12.89","refractivity":"49.1832","polarizability":"20.123591524880535","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"3.6914747167115203","pka_strongest_acidic":null,"bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"1","veber_rule":"1","mddr_like_rule":"0","synonyms":["4-Ethyl-5-methyl-2-(1-methylethyl)thiazole, 9ci"],"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":[]}