Ethyl 4-methylthiazole-5-carboxylate
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
Identifiers
CAS number
20582-55-2SMILES
CCOC(=O)c1scnc1CInChIKey
WISQBJLUORKXNY-UHFFFAOYSA-NInChI
InChI=1S/C7H9NO2S/c1-3-10-7(9)6-5(2)8-4-11-6/h4H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
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
Ethyl 2,4-dimethyl-5-thiazolecarboxylate7210-77-756 % similar
4-Carbethoxy-5-methylimidazole51605-32-453 % similar
4-Methyl-5-thiazolecarboxylic acid20485-41-051 % similar
Ethyl 2-methyl-3-pyridinecarboxylate1721-26-251 % similar
Ethyl 3-methylpyrazole-4-carboxylate85290-78-449 % similar
Ethyl 2-(4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate161797-99-548 % similar
Ethyl 5-bromo-2-methylpyridine-3-carboxylate129477-21-048 % similar
Diethyl terephthalate636-09-946 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds