1.02010-04-08 22:09:23 UTC2019-11-26 03:04:23 UTCFDB0109612,4-DimethylthiazoleConstituent of beef aroma. 2,4-Dimethylthiazole is found in tea and animal foods.2, 4-Dimethylthiazole2,4-Dimethyl-1,3-thiazole2,4-Dimethyl-thiazole2,4-MethylthiazoleThiazole, 2,4-dimethyl-C5H7NS113.181113.0299199192,4-dimethyl-1,3-thiazole2,4-dimethylthiazole541-58-2CC1=NC(C)=CS1InChI=1S/C5H7NS/c1-4-3-7-5(2)6-4/h3H,1-2H3OBSLLHNATPQFMJ-UHFFFAOYSA-N belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. 2,4-disubstituted thiazoles are compounds containing a thiazole ring substituted at the positions 2 and 3.2,4-disubstituted thiazolesOrganic compoundsOrganoheterocyclic compoundsAzolesThiazolesAromatic heteromonocyclic compoundsAzacyclic compoundsHeteroaromatic compoundsHydrocarbon derivativesOrganonitrogen compoundsOrganopnictogen compounds2,4-disubstituted 1,3-thiazoleAromatic heteromonocyclic compoundAzacycleHeteroaromatic compoundHydrocarbon derivativeOrganic nitrogen compoundOrganonitrogen compoundOrganopnictogen compoundlogp1.69logs-1.73solubility2.10e+00 g/llogp0.89pka_strongest_basic3.44iupac2,4-dimethyl-1,3-thiazoleaverage_mass113.181mono_mass113.029919919smilesCC1=NC(C)=CS1formulaC5H7NSinchiInChI=1S/C5H7NS/c1-4-3-7-5(2)6-4/h3H,1-2H3inchikeyOBSLLHNATPQFMJ-UHFFFAOYSA-Npolar_surface_area12.89refractivity30.3polarizability12.27rotatable_bond_count0acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr5862Specdb::MsIr5863Specdb::CMs25050Specdb::CMs26849Specdb::CMs28927Specdb::CMs101284Specdb::CMs101285Specdb::CMs161960Specdb::NmrOneD117178Specdb::NmrOneD117179Specdb::NmrOneD117180Specdb::NmrOneD117181Specdb::NmrOneD117182Specdb::NmrOneD117183Specdb::NmrOneD117184Specdb::NmrOneD117185Specdb::NmrOneD117186Specdb::NmrOneD117187Specdb::NmrOneD117188Specdb::NmrOneD117189Specdb::NmrOneD117190Specdb::NmrOneD117191Specdb::NmrOneD117192Specdb::NmrOneD117193Specdb::NmrOneD117194Specdb::NmrOneD117195Specdb::NmrOneD117196Specdb::NmrOneD117197Specdb::MsMs97779Specdb::MsMs97780Specdb::MsMs97781Specdb::MsMs162555Specdb::MsMs162556Specdb::MsMs162557Specdb::MsMs3044935Specdb::MsMs3044936Specdb::MsMs3044937Specdb::MsMs3094708Specdb::MsMs3094709Specdb::MsMs3094710HMDB32974#<Reference:0x0000555676343920>Black teaType 1Green teaType 1Herbal teaType 1Red teaType 1TeaType 1specificCamellia sinensis4442barleybeefycoffeemoldroastedrubbertea