{"ymdb_id":"YMDB01585","created_at":"2011-08-31T03:25:08.000Z","updated_at":"2016-09-08T18:36:51.000Z","name":"2-Isobutylthiazole","cas":"18640-74-9","state":null,"melting_point":null,"description":"2-Isobutylthiazole 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. 2-Isobutylthiazole is also reported to be responsible for tomato-leaf aromas in Sauvignon blanc wines. [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":"62725","cs_id":"56469","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"2-(2-methylpropyl)-1,3-thiazole","traditional_iupac":"2-(2-methylpropyl)-1,3-thiazole","logp":"2.1872269353333333","pka":null,"alogps_solubility":"6.53e-01 g/l","alogps_logp":"2.90","alogps_logs":"-2.33","acceptor_count":"1","donor_count":"0","rotatable_bond_count":"2","polar_surface_area":"12.89","refractivity":"39.4836","polarizability":"15.821207621998528","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"3.4295892953012648","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-Isobutyl-1,3-thiazole","Thiazole, 2-(2-methylpropyl)-","Thiazole, 2-isobutyl-"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}