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

C16H27NO2SCAS 101426-31-7297.46 g/mol

Open in Covalent MOL file
OOSN
Ester

Properties

Molecular formula
C16H27NO2S
Molar mass
297.46 g/mol
Exact mass
297.1763 Da
Density
1.012–1.018 g/mL
logP
4.68Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
11

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,376 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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 4-Methyl-5-thiazoleethanol acetate656-53-159 % similar Glycol distearate627-83-852 % similar Butyl laurate106-18-351 % similar Butyl myristate110-36-151 % similar Butyl palmitate111-06-851 % similar Dioctyl adipate123-79-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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