chempirical

4-Methyl-5-thiazoleethanol acetate

C8H11NO2SCAS 656-53-1185.24 g/mol

Open in Covalent MOL file
OOSN
Ester

Properties

Molecular formula
C8H11NO2S
Molar mass
185.24 g/mol
Exact mass
185.0510 Da
Density
1.145–1.149 g/mL
Melting point
112 °C
Boiling point
123 °C (at 4 Torr)
logP
1.56Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 1,424 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P271, P304+P340, P317

Identifiers

CAS number
656-53-1
SMILES
CC(=O)OCCc1scnc1C
InChIKey
CRTCWNPLKVVXIX-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2S/c1-6-8(12-5-9-6)3-4-11-7(2)10/h5H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

7 names
  • 5-Thiazoleethanol, 4-methyl-, 5-acetate
  • 5-Thiazoleethanol, 4-methyl-, acetate (ester)
  • 5-Thiazoleethanol, 4-methyl-, acetate
  • 5-(2-Acetoxyethyl)-4-methylthiazole
  • 4-Methyl-5-(β-acetoxyethyl)thiazole
  • 2-(4-Methylthiazol-5-yl)ethylacetate
  • 2-(4-Methyl-1,3-thiazol-5-yl)ethyl acetate

Work with 4-Methyl-5-thiazoleethanol acetate

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 butanoate94159-31-664 % similar 2-(4-Methyl-1,3-thiazol-5-yl)ethyl hexanoate94159-32-760 % similar 2-(4-Methyl-1,3-thiazol-5-yl)ethyl decanoate101426-31-759 % similar 4-Methyl-5-(2-hydroxyethyl)thiazole137-00-850 % similar Clomethiazole533-45-950 % similar Phenethyl acetate103-45-746 % similar Ethyl 4-methylthiazole-5-carboxylate20582-55-244 % similar Glycol diacetate111-55-742 % similar

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

Same formula

4-Ethylbenzenesulfonamide138-38-5 Methyl 3-amino-3-(2-thienyl)propanoate188812-40-0 2-Amino-5-ethyl-3-thiophenecarboxylic acid methyl ester19156-63-9 (βS)-β-Amino-3-thiophenebutanoic acid270262-99-2 Ethyl 2-amino-4-methylthiophene-3-carboxylate43088-42-2 2-Amino-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester4651-93-8 Ethyl 2-amino-5-methylthiophene-3-carboxylate4815-32-1 N-Methyl-p-toluenesulfonamide640-61-9

Elsewhere

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