Ethyl 4-methylthiazole-5-carboxylate

C7H9NO2SCAS 20582-55-2171.21 g/mol

Open in Covalent MOL file
OOSN
Ester

Properties

Molecular formula
C7H9NO2S
Molar mass
171.21 g/mol
Exact mass
171.0354 Da
Melting point
27–28 °C
Boiling point
230–236 °C
logP
1.63Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
20582-55-2
SMILES
CCOC(=O)c1scnc1C
InChIKey
WISQBJLUORKXNY-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO2S/c1-3-10-7(9)6-5(2)8-4-11-6/h4H,3H2,1-2H3

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Names and synonyms

5 names
  • 5-Thiazolecarboxylic acid, 4-methyl-, ethyl ester
  • 4-Methylthiazole-5-carboxylic acid ethyl ester
  • 4-Methyl-5-(ethoxycarbonyl)thiazole
  • NSC 170824
  • Ethyl 4-methyl-1,3-thiazole-5-carboxylate

Work with Ethyl 4-methylthiazole-5-carboxylate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 4-methylthiazole-5-carboxylate81569-44-066 % similar Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate18212-20-959 % similar Ethyl 2,4-dimethylthiazole-5-carboxylate7210-77-756 % similar Ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate22900-83-054 % similar Ethyl 2-amino-4-methylthiazole-5-carboxylate7210-76-654 % similar Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate7238-62-254 % similar 4-Carbethoxy-5-methylimidazole51605-32-453 % similar Ethyl 5-bromo-1,3-thiazole-4-carboxylate61830-23-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Phenylmethanesulfonamide1197-22-4 (R)-2-Amino-3-(thiophen-3-yl)propanoic acid152612-26-5 2-Thienylalanine2021-58-1 L-2-Thienylalanine22951-96-8 4-(1-Methylethyl)-2-thiazolecarboxylic acid300831-06-5 Ethyl 2-aminothiophene-3-carboxylate31891-06-2 3-(Methylsulphonyl)aniline35216-39-8 (αS)-α-Amino-3-thiophenepropanoic acid3685-51-6

Elsewhere

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