1.02010-04-08 22:14:34 UTC2019-11-26 03:17:49 UTCFDB0197552-Ethyl-4,5-dimethylthiazoleComponent of coffee aroma. 2-Ethyl-4,5-dimethylthiazole is found in coffee and coffee products.2-Ethyl-4,5-dimethyl-1,3-thiazole2-Ethyl-4,5-dimethylthiazole4,5-Dimethyl-2-ethylthiazole9-Aminoacridine HCl H2O9-Aminoacridine hydrochloride hydrate9-Aminoacridine hydrochloride monohydrate9-Aminoacridine, monohydrochloride, monohydrateacridin-9-amine hydrochloride hydrateAcridin-9-ylamineC7H11NS141.234141.0612200472-ethyl-4,5-dimethyl-1,3-thiazole2-ethyl-4,5-dimethyl-1,3-thiazole873-64-3CCC1=NC(C)=C(C)S1InChI=1S/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3BVOKJOZBJOWZNJ-UHFFFAOYSA-N belongs to the class of organic compounds known as 2,4,5-trisubstituted thiazoles. 2,4,5-trisubstituted thiazoles are compounds containing a thiazole ring substituted at positions 2, 4 and 5 only.2,4,5-trisubstituted thiazolesOrganic compoundsOrganoheterocyclic compoundsAzolesThiazolesAromatic heteromonocyclic compoundsAzacyclic compoundsHeteroaromatic compoundsHydrocarbon derivativesOrganonitrogen compoundsOrganopnictogen compounds2,4,5-trisubstituted 1,3-thiazoleAromatic heteromonocyclic compoundAzacycleHeteroaromatic compoundHydrocarbon derivativeOrganic nitrogen compoundOrganonitrogen compoundOrganopnictogen compoundlogp2.80logs-2.35solubility6.27e-01 g/llogp2.23pka_strongest_basic3.87iupac2-ethyl-4,5-dimethyl-1,3-thiazoleaverage_mass141.234mono_mass141.061220047smilesCCC1=NC(C)=C(C)S1formulaC7H11NSinchiInChI=1S/C7H11NS/c1-4-7-8-5(2)6(3)9-7/h4H2,1-3H3inchikeyBVOKJOZBJOWZNJ-UHFFFAOYSA-Npolar_surface_area12.89refractivity39.98polarizability16.28rotatable_bond_count1acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs17154Specdb::CMs28931Specdb::CMs102040Specdb::CMs137702Specdb::CMs145436Specdb::MsIr8590Specdb::MsIr8591Specdb::MsMs303937Specdb::MsMs303938Specdb::MsMs303939Specdb::MsMs346996Specdb::MsMs346997Specdb::MsMs346998Specdb::MsMs2671746Specdb::MsMs2671747Specdb::MsMs2671748Specdb::MsMs3009631Specdb::MsMs3009632Specdb::MsMs3009633HMDB40068#<Reference:0x0000555674bdefc8>Arabica coffeeType 1specificCoffea arabica13443Coffee and coffee productsUnknowngenericRobusta coffeeType 1specificCoffea canephora49390burntcocoahazelnut