{"ymdb_id":"YMDB01507","created_at":"2011-07-25T20:47:04.000Z","updated_at":"2016-09-08T18:36:46.000Z","name":"4,5-Dimethyl-2-propylthiazole","cas":"41981-72-0","state":null,"melting_point":null,"description":"4,5-Dimethyl-2-propylthiazole 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":"521080","cs_id":"454518","foodb_id":"FDB019760","wikipedia_link":null,"biocyc_id":null,"iupac":"4,5-dimethyl-2-propyl-1,3-thiazole","traditional_iupac":"4,5-dimethyl-2-propyl-1,3-thiazole","logp":"2.677438817333333","pka":null,"alogps_solubility":"2.62e-01 g/l","alogps_logp":"3.39","alogps_logs":"-2.77","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"12.89","refractivity":"44.5828","polarizability":"18.40176019218371","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"3.846119731599012","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-propyl-4,5-dimethyI-thiazole","4,5-Dimethyl-2-propyl-1,3-thiazole","4,5-Dimethyl-2-propylthiazole"],"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":[]}