Methyl 2-bromothiazole-4-carboxylate

C₅H₄BrNO₂SCAS 170235-26-4222.06 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

Hazards

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

Identifiers

CAS number

170235-26-4

SMILES

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

InChIKey

YOWKNNKTQWCYNC-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with Methyl 2-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

Ethyl 2-bromothiazole-4-carboxylate100367-77-967 % similar Methyl 2-amino-1,3-thiazole-4-carboxylate118452-04-361 % similar Dimethyl 4-bromopyridine-2,6-dicarboxylate162102-79-653 % similar 2-Bromo-4-thiazolecarboxylic acid5198-88-953 % similar Methyl 6-bromo-2-pyridinecarboxylate26218-75-749 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-849 % similar Methyl 4-bromothiophene-2-carboxylate62224-16-246 % similar Methyl 6-amino-5-bromopicolinate178876-82-945 % similar

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

Same formula

2-Bromo-4-methyl-1,3-thiazole-5-carboxylic acid40003-41-6 Methyl 2-bromothiazole-5-carboxylate54045-74-8 Methyl 5-bromothiazole-4-carboxylate913836-22-3

Elsewhere

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