Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

C₁₄H₁₃NO₄SCAS 161798-01-2291.32 g/mol

Open in Covalent MOL file

Aldehyde Ester Phenol

Properties

Molecular formula: C₁₄H₁₃NO₄S
Molar mass: 291.32 g/mol
Exact mass: 291.0565 Da
logP: 2.81Crippen estimate
Polar surface area: 76.5 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 4 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

161798-01-2

SMILES

CCOC(=O)c1sc(-c2ccc(O)c(C=O)c2)nc1C

InChIKey

NJRGQNNSIAFIJC-UHFFFAOYSA-N

InChI

InChI=1S/C14H13NO4S/c1-3-19-14(18)12-8(2)15-13(20-12)9-4-5-11(17)10(6-9)7-16/h4-7,17H,3H2,1-2H3

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Names and synonyms

1 names

5-Thiazolecarboxylic acid, 2-(3-formyl-4-hydroxyphenyl)-4-methyl-, ethyl ester

Work with Ethyl 2-(3-formyl-4-hydroxyphenyl)-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 2-(3-cyano-4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate161798-02-368 % similar Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate161798-03-468 % similar Ethyl 2-(4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylate161797-99-565 % similar Ethyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate53715-64-360 % similar 4-Methyl-2-(4-trifluoromethyl-phenyl)-thiazole-5-carboxylic acid ethyl ester175277-03-957 % similar Ethyl 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-5-thiazolecarboxylate160844-75-751 % similar Ethyl 2,4-dimethylthiazole-5-carboxylate7210-77-747 % similar Ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate22900-83-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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