2-(4-Methyl-1,3-thiazol-5-yl)ethyl hexanoate

C₁₂H₁₉NO₂SCAS 94159-32-7241.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₉NO₂S
Molar mass: 241.35 g/mol
Exact mass: 241.1137 Da
logP: 3.12Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 7

Identifiers

CAS number

94159-32-7

SMILES

CCCCCC(=O)OCCc1scnc1C

InChIKey

VJULDCZELAIZHC-UHFFFAOYSA-N

InChI

InChI=1S/C12H19NO2S/c1-3-4-5-6-12(14)15-8-7-11-10(2)13-9-16-11/h9H,3-8H2,1-2H3

Weigh it out

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

Names and synonyms

2 names

Hexanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester
2-(4-Methylthiazol-5-yl)ethyl hexanoate

Work with 2-(4-Methyl-1,3-thiazol-5-yl)ethyl hexanoate

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-5-thiazolyl)ethyl butanoate94159-31-683 % similar 5-(2-Acetoxyethyl)-4-methylthiazole656-53-160 % similar Pentyl hexanoate540-07-850 % similar Propyl hexanoate626-77-750 % similar Butyl hexanoate626-82-450 % similar Dioctyl adipate123-79-549 % similar Butyl stearate123-95-549 % similar Decyl decanoate1654-86-049 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2C-T-2207740-24-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook