Methyl 2-amino-5-bromothiazole-4-carboxylate

C₅H₅BrN₂O₂SCAS 850429-60-6237.07 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₅H₅BrN₂O₂S
Molar mass: 237.07 g/mol
Exact mass: 235.9255 Da
logP: 1.10Crippen estimate
Polar surface area: 65.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Identifiers

CAS number

850429-60-6

SMILES

COC(=O)c1[nH]c(=N)sc1Br

InChIKey

KVUHCAXYWHQFLW-UHFFFAOYSA-N

InChI

InChI=1S/C5H5BrN2O2S/c1-10-4(9)2-3(6)11-5(7)8-2/h1H3,(H2,7,8)

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Names and synonyms

1 names

4-Thiazolecarboxylic acid, 2-amino-5-bromo-, methyl ester

Work with Methyl 2-amino-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

5-Bromo-4-methyl-2-thiazolamine3034-57-943 % similar Methyl 5-bromothiazole-4-carboxylate913836-22-340 % similar Methyl 5-amino-1H-1,2,4-triazole-3-carboxylate3641-14-337 % similar Methyl 4-bromo-1H-pyrrole-2-carboxylate934-05-437 % similar Methyl 3,5-dibromobenzoate51329-15-835 % similar Dimethyl 5-bromoisophthalate51760-21-535 % similar 4,5-Dimethyl 1H-imidazole-4,5-dicarboxylate3304-70-935 % similar Methyl 4-bromobenzoate619-42-134 % similar

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

Same formula

5-Bromo-2-(methylsulfonyl)pyrimidine38275-48-8

Elsewhere

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