1.0 2018-06-25 21:46:49 UTC 2020-04-22 15:51:15 UTC BMDB0062050 BMDB62050 5-(2-Hydroxyethyl)-4-methylthiazole 5-(2-Hydroxyethyl)-4-methylthiazole, also known as 4-methyl-5-(2'-hydroxyethyl)-thiazole or 4-methyl-5-thiazolethanol, belongs to the class of organic compounds known as 4,5-disubstituted thiazoles. 4,5-disubstituted thiazoles are compounds containing a thiazole ring substituted at positions 4 and 5 only. 5-(2-Hydroxyethyl)-4-methylthiazole exists as a solid, possibly soluble (in water), and a strong basic compound (based on its pKa) molecule. 5-(2-Hydroxyethyl)-4-methylthiazole exists in all living species, ranging from bacteria to humans. 4-Methyl-5-(2'-hydroxyethyl)-thiazole 4-Methyl-5-(2-hydroxyethyl)-thiazole 4-Methyl-5-thiazolethanol Hemineurine 4-Methyl-5-(2-hydroxyethyl)thiazole HET 2-(4-Methyl-1,3-thiazol-5-yl)ethanol 2-(4-Methyl-5-thiazolyl)ethanol 2-(4-METHYL-thiazol-5-yl)-ethanol 2-(4-Methylthiazol-5-yl)ethanol 2-(4-Methylthiazole-5-yl)ethanol 4-METHYL-5-(beta-hydroxyethyl)-thiazole 4-Methyl-5-(beta-hydroxyethyl)thiazole 4-Methyl-5-hydroxethylthiazole 4-Methyl-5-hydroxyethylthiazole 4-Methyl-5-thiazoleethanol 4-Methyl-5-thiazoleethanol, 9ci 4-Methyl-5-thiazolylethanol 4-Metyl-5-(beta-hydroxyethyl)thiazole 5-(2-Hydroxyethyl)-4-methylthiazole (sulfurol) 5-(beta-Hydroxyethyl)-4-methylthiazole 5-(Hydroxyethyl)-4-methylthiazole FEMA 3204 MHT Sulfurol Thiamine breakdown product 4-methyl-5-thiazoleethanol- from Thiamine thiazole Thiazole, 5-(2-hydroxyethyl)-4-methyl TZE Thiamine thiazole hydrochloride Thiamine thiazole phosphate 4-Methyl-5-(2-thiazoleethanol) 4-Methyl-5-(β-hydroxyethyl)thiazole 5-(Β-hydroxyethyl)-4-methylthiazole THZ 5-(2-Hydroxyethyl)-4-methylthiazole C6H9NOS 143.207 143.040484605 2-(4-methyl-1,3-thiazol-5-yl)ethan-1-ol 4-methyl-5-thiazoleethanol 137-00-8 CC1=C(CCO)SC=N1 InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3 BKAWJIRCKVUVED-UHFFFAOYSA-N belongs to the class of organic compounds known as 4,5-disubstituted thiazoles. 4,5-disubstituted thiazoles are compounds containing a thiazole ring substituted at positions 4 and 5 only. Organic compounds Organoheterocyclic compounds Azoles Thiazoles 4,5-disubstituted thiazoles Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Primary alcohols 4,5-disubstituted 1,3-thiazole Alcohol Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Primary alcohol Aromatic heteromonocyclic compounds 1,3-thiazole Thiazole alkaloids a thiazole primary alcohol Solid melting_point < 25 °C logp 0.67 ALOGPS logs -1.80 ALOGPS logp 0.42 ChemAxon pka_strongest_acidic 15.62 ChemAxon pka_strongest_basic 3.12 ChemAxon iupac 2-(4-methyl-1,3-thiazol-5-yl)ethan-1-ol ChemAxon average_mass 143.207 ChemAxon mono_mass 143.040484605 ChemAxon smiles CC1=C(CCO)SC=N1 ChemAxon formula C6H9NOS ChemAxon inchi InChI=1S/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3 ChemAxon inchikey BKAWJIRCKVUVED-UHFFFAOYSA-N ChemAxon polar_surface_area 33.12 ChemAxon refractivity 37.32 ChemAxon polarizability 14.92 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 5875 Specdb::MsIr 5876 Specdb::MsIr 5877 Specdb::CMs 1069 Specdb::CMs 3452 Specdb::CMs 28934 Specdb::CMs 31627 Specdb::CMs 32183 Specdb::CMs 43039 Specdb::CMs 136145 Specdb::CMs 143879 Specdb::NmrOneD 4455 Specdb::NmrOneD 4576 Specdb::NmrOneD 4951 Specdb::NmrOneD 4952 Specdb::NmrOneD 117258 Specdb::NmrOneD 117259 Specdb::NmrOneD 117260 Specdb::NmrOneD 117261 Specdb::NmrOneD 117262 Specdb::NmrOneD 117263 Specdb::NmrOneD 117264 Specdb::NmrOneD 117265 Specdb::NmrOneD 117266 Specdb::NmrOneD 117267 Specdb::NmrOneD 117268 Specdb::NmrOneD 117269 Specdb::NmrOneD 117270 Specdb::NmrOneD 117271 Specdb::NmrOneD 117272 Specdb::NmrOneD 117273 Specdb::NmrOneD 117274 Specdb::NmrOneD 117275 Specdb::NmrOneD 117276 Specdb::NmrOneD 117277 Specdb::MsMs 29102 Specdb::MsMs 29103 Specdb::MsMs 29104 Specdb::MsMs 35660 Specdb::MsMs 35661 Specdb::MsMs 35662 Specdb::MsMs 446465 Specdb::MsMs 446466 Specdb::MsMs 446467 Specdb::MsMs 446468 Specdb::MsMs 446469 Specdb::MsMs 448123 Specdb::MsMs 448124 Specdb::MsMs 2237966 Specdb::MsMs 2239623 Specdb::MsMs 2280334 Specdb::MsMs 2280335 Specdb::MsMs 2280336 Specdb::MsMs 3084457 Specdb::MsMs 3084458 Specdb::MsMs 3084459 Milk Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. 23438684 FDB030512 1104 DB02969 1136 17957 C00007610 C04294 TZE THZ Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. 23438684