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

C14H14N2O6SCAS 877997-99-4338.33 g/mol

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OOSNHOOOHON
EsterEtherPhenol

Properties

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

Hazards

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

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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

3 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
  • Methyl 2-(2-hydroxy-4,5-diMethoxybenzaMido)thiazole-4-carboxylate

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

2-Hydroxy-4,5-dimethoxybenzoic acid5722-93-044 % similar 2'-Hydroxy-4',5'-dimethoxyacetophenone20628-06-242 % similar Phenyl 2-hydroxy-4,5-dimethoxybenzoate877997-98-341 % similar Methyl 2-amino-1,3-thiazole-4-carboxylate118452-04-341 % similar Methyl 2-bromothiazole-4-carboxylate170235-26-441 % similar Methyl 6-amino-3,4-dimethoxybenzoate26759-46-640 % similar Methyl vanillate3943-74-639 % similar Methyl 4-methoxysalicylate5446-02-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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