Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

C₁₃H₁₃NO₂SCAS 53715-64-3247.31 g/mol

Open in Covalent MOL file

Ester

Properties

Molecular formula: C₁₃H₁₃NO₂S
Molar mass: 247.31 g/mol
Exact mass: 247.0667 Da
logP: 3.30Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

53715-64-3

SMILES

CCOC(=O)C1=C(N=C(S1)C2=CC=CC=C2)C

InChIKey

FYPLITQTMHJFKK-UHFFFAOYSA-N

InChI

InChI=1S/C13H13NO2S/c1-3-16-13(15)11-9(2)14-12(17-11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3

Weigh it out

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

Work with Ethyl 4-methyl-2-phenyl-1,3-thiazole-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-(4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate161797-99-576 % similar 4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid ethyl ester175277-03-971 % similar Ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate161798-02-362 % similar Ethyl 2,4-dimethylthiazole-5-carboxylate7210-77-760 % similar Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate161798-01-260 % similar Ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate22900-83-058 % similar 4-Methyl-2-phenyl-thiazole-5-carboxylic acid33763-20-158 % similar Ethyl 2-amino-4-methylthiazole-5-carboxylate7210-76-658 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 2-amino-5-phenylthiophene-3-carboxylate4815-34-3 Ethyl 2-amino-4-phenylthiophene-3-carboxylate4815-36-5

Elsewhere

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