2-(4-Methyl-5-thiazolyl)ethyl butanoate

C10H15NO2SCAS 94159-31-6213.29 g/mol

Open in Covalent MOL file
OOSN
Ester

Properties

Molecular formula
C10H15NO2S
Molar mass
213.29 g/mol
Exact mass
213.0823 Da
Density
1.106–1.112 g/mL
logP
2.34Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Hazards

Not classified as hazardous under GHS by 92 ECHA notifiers. Aggregated from 92 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
94159-31-6
SMILES
CCCC(=O)OCCc1scnc1C
InChIKey
GDRZNYCKSKHESZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H15NO2S/c1-3-4-10(12)13-6-5-9-8(2)11-7-14-9/h7H,3-6H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names
  • 1-Butyryloxy-2-(4-methyl-thiazol-5-yl)-ethane
  • 2-(4-Methyl-1,3-thiazol-5-yl)ethyl butanoate
  • 2-(4-Methylthiazol-5-yl)ethyl butyrate
  • Butanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester

Work with 2-(4-Methyl-5-thiazolyl)ethyl butanoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(4-Methyl-1,3-thiazol-5-yl)ethyl hexanoate94159-32-783 % similar 2-(4-Methyl-1,3-thiazol-5-yl)ethyl decanoate101426-31-781 % similar 4-Methyl-5-thiazoleethanol acetate656-53-164 % similar 2-Phenylethyl butanoate103-52-650 % similar Propyl butyrate105-66-846 % similar 4-Methyl-5-(2-hydroxyethyl)thiazole137-00-844 % similar Clomethiazole533-45-944 % similar Butyl butyrate109-21-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1R)-10,10-Dimethyl-3λ[6]-thia-4-azatricyclo[5.2.1.0[1,5]]dec-4-ene-3,3-dione107869-45-4 4-N-Butylbenzenesulfonamide1135-00-8 (1S,2S)-2-Amino-1-[4-(methylthio)phenyl]-1,3-propanediol16854-32-3 Methyl 3-amino-5-tert-butylthiophene-2-carboxylate175137-03-8 N-Butylbenzenesulfonamide3622-84-2 (3aS,6R)-8,8-Dimethyl-4,5,6,7-tetrahydro-3H-3a,6-methanobenzo[c]isothiazole 2,2-dioxide60886-80-8 4-tert-Butylbenzenesulfonamide6292-59-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook