Methyl 2-amino-1,3-thiazole-4-carboxylate

C₅H₆N₂O₂SCAS 118452-04-3158.18 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₅H₆N₂O₂S
Molar mass: 158.18 g/mol
Exact mass: 158.0150 Da
logP: 0.51Crippen estimate
Polar surface area: 65.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 1

Identifiers

CAS number

118452-04-3

SMILES

COC(=O)C1=CSC(=N1)N

InChIKey

WYVZZWKIKAKUKV-UHFFFAOYSA-N

InChI

InChI=1S/C5H6N2O2S/c1-9-4(8)3-2-10-5(6)7-3/h2H,1H3,(H2,6,7)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Amino-thiazole-4-carboxylic acid methyl ester

Work with Methyl 2-amino-1,3-thiazole-4-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

Dimethyl 2,6-pyridinedicarboxylate5453-67-849 % similar 6-Fluoropyridine-2-carboxylic acid methyl ester455-71-045 % similar Methyl 3-amino-4-methylthiophene-2-carboxylate85006-31-144 % similar Methyl 3-aminothiophene-2-carboxylate22288-78-444 % similar 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-443 % similar Methyl 2-amino-3-thiophenecarboxylate4651-81-443 % similar 2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester448906-42-142 % similar Dimethyl 4-aminothiophene-2,3-dicarboxylate hydrochloride121071-71-442 % similar

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

Same formula

4,6-Dihydroxy-2-(methylthio)pyrimidine1979-98-2 2-Amino-4-thiazoleacetic acid29676-71-9 Ethyl 1,2,3-thiadiazole-4-carboxylate3989-36-4

Elsewhere

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