chempirical

Ethyl 2-(4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate

C13H13NO3SCAS 161797-99-5263.31 g/mol

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EsterPhenol

Properties

Molecular formula
C13H13NO3S
Molar mass
263.31 g/mol
Exact mass
263.0616 Da
Melting point
180 °C
logP
3.00Crippen estimate
Polar surface area
59.4 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Identifiers

CAS number
161797-99-5
SMILES
CCOC(=O)c1sc(-c2ccc(O)cc2)nc1C
InChIKey
LOCYSKNNFCGDTR-UHFFFAOYSA-N
InChI
InChI=1S/C13H13NO3S/c1-3-17-13(16)11-8(2)14-12(18-11)9-4-6-10(15)7-5-9/h4-7,15H,3H2,1-2H3

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Names and synonyms

3 names
  • 5-Thiazolecarboxylic acid, 2-(4-hydroxyphenyl)-4-methyl-, ethyl ester
  • Ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
  • 2-(4-Hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester

Work with Ethyl 2-(4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate

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-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate161798-01-265 % similar Ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate161798-02-364 % similar Ethyl 2,4-dimethyl-5-thiazolecarboxylate7210-77-757 % similar Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate161798-03-454 % similar Ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylate160844-75-753 % similar Ethylparaben120-47-851 % similar Ethyl 4-methylthiazole-5-carboxylate20582-55-248 % similar 4-Methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolecarboxylic acid144059-86-943 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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