Methyl 5-bromothiazole-4-carboxylate

C₅H₄BrNO₂SCAS 913836-22-3222.06 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₅H₄BrNO₂S
Molar mass: 222.06 g/mol
Exact mass: 220.9146 Da
logP: 1.69Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Identifiers

CAS number

913836-22-3

SMILES

COC(=O)c1ncsc1Br

InChIKey

AUJMFWXVFMHABB-UHFFFAOYSA-N

InChI

InChI=1S/C5H4BrNO2S/c1-9-5(8)3-4(6)10-2-7-3/h2H,1H3

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Names and synonyms

2 names

4-Thiazolecarboxylic acid, 5-bromo-, methyl ester
Methyl 5-bromo-1,3-thiazole-4-carboxylate

Work with Methyl 5-bromothiazole-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

Methyl 3,6-dibromopyrazine-2-carboxylate13301-04-746 % similar Methyl 5-bromo-3-fluoropyridine-2-carboxylate1211538-72-544 % similar 5-Bromo-3-chloro-2-pyridinecarboxylic acid methyl ester1214336-41-044 % similar 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-644 % similar Methyl 3-chloropyrazine-2-carboxylate27825-21-444 % similar 4,5-Dimethyl 1H-imidazole-4,5-dicarboxylate3304-70-944 % similar 2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-943 % similar 5-Bromopyridine-2-carboxylic acid methyl ester29682-15-341 % similar

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

Elsewhere

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