Methyl 2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-4-thiazolecarboxylate

C₁₄H₁₄N₂O₆SCAS 877997-99-4338.33 g/mol

Open in Covalent MOL file

Ester Ether Phenol

Properties

Molecular formula: C₁₄H₁₄N₂O₆S
Molar mass: 338.33 g/mol
Exact mass: 338.0573 Da
logP: 2.29Crippen estimate
Polar surface area: 110.5 Å²
H-bond donors / acceptors: 2 / 8
Rotatable bonds: 5

Identifiers

CAS number

877997-99-4

SMILES

COC(=O)c1csc(N=C(O)c2cc(OC)c(OC)cc2O)n1

InChIKey

KOPRMBXEMNEOOQ-UHFFFAOYSA-N

InChI

InChI=1S/C14H14N2O6S/c1-20-10-4-7(9(17)5-11(10)21-2)12(18)16-14-15-8(6-23-14)13(19)22-3/h4-6,17H,1-3H3,(H,15,16,18)

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Names and synonyms

2 names

4-Thiazolecarboxylic acid, 2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-, methyl ester
2-[(2-Hydroxy-4,5-dimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid methyl ester

Work with Methyl 2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-4-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

Methyl 2-amino-1,3-thiazole-4-carboxylate118452-04-341 % similar Methyl 6-amino-3,4-dimethoxybenzoate26759-46-640 % similar Methyl vanillate3943-74-639 % similar Methyl 4-methoxysalicylate5446-02-639 % similar 3-Hydroxy-N-(2-methoxyphenyl)-2-naphthalenecarboxamide135-62-638 % similar Methyl syringate884-35-536 % similar Methyl 4-acetamido-2-hydroxybenzoate4093-28-136 % similar Methyl 2,4-dihydroxybenzoate2150-47-236 % similar

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

Elsewhere

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