chempirical

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

C13H13NO2SCAS 53715-64-3247.31 g/mol

Open in Covalent MOL file
OONS
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 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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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-dimethyl-5-thiazolecarboxylate7210-77-760 % 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 2-Amino-3-(ethoxycarbonyl)-4-phenylthiophene4815-36-5

Elsewhere

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