Ethyl 2,4-dimethylthiazole-5-carboxylate

C₈H₁₁NO₂SCAS 7210-77-7185.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₁₁NO₂S
Molar mass: 185.24 g/mol
Exact mass: 185.0510 Da
Melting point: 50–51 °C
logP: 1.94Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

7210-77-7

SMILES

CCOC(=O)c1sc(C)nc1C

InChIKey

BXOIIRQIGYJTTB-UHFFFAOYSA-N

InChI

InChI=1S/C8H11NO2S/c1-4-11-8(10)7-5(2)9-6(3)12-7/h4H2,1-3H3

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Names and synonyms

3 names

Ethyl 2,4-dimethyl-5-thiazolecarboxylate
5-Thiazolecarboxylic acid, 2,4-dimethyl-, ethyl ester
2,4-Dimethyl-thiazole-5-carboxylic acid ethyl ester

Work with Ethyl 2,4-dimethylthiazole-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate22900-83-068 % similar Ethyl 2-amino-4-methylthiazole-5-carboxylate7210-76-668 % similar Ethyl 2-chloro-4-methyl-1,3-thiazole-5-carboxylate7238-62-268 % similar Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate53715-64-360 % similar Ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate18212-20-958 % similar Ethyl 2-(4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate161797-99-557 % similar Ethyl 4-methylthiazole-5-carboxylate20582-55-256 % similar 5-Acetyl-2,4-dimethylthiazole38205-60-656 % 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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