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

C₁₆H₂₇NO₂SCAS 101426-31-7297.46 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₂₇NO₂S
Molar mass: 297.46 g/mol
Exact mass: 297.1763 Da
logP: 4.68Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 11

Identifiers

CAS number

101426-31-7

SMILES

CCCCCCCCCC(=O)OCCc1scnc1C

InChIKey

RUOLKIITSCGKJQ-UHFFFAOYSA-N

InChI

InChI=1S/C16H27NO2S/c1-3-4-5-6-7-8-9-10-16(18)19-12-11-15-14(2)17-13-20-15/h13H,3-12H2,1-2H3

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Names and synonyms

2 names

Decanoic acid, 2-(4-methyl-5-thiazolyl)ethyl ester
2-(4-Methyl-5-thiazolyl)ethyl decanoate

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

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 hexanoate94159-32-798 % similar 2-(4-Methyl-5-thiazolyl)ethyl butanoate94159-31-681 % similar 5-(2-Acetoxyethyl)-4-methylthiazole656-53-159 % similar Butyl laurate106-18-351 % similar Butyl myristate110-36-151 % similar Butyl palmitate111-06-851 % similar Dioctyl adipate123-79-551 % similar Butyl stearate123-95-551 % similar

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

Elsewhere

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