Ethyl 2-amino-5-bromo-1,3-thiazole-4-carboxylate

C₆H₇BrN₂O₂SCAS 61830-21-5251.10 g/mol

Open in Covalent MOL file

Aryl halide Ester Primary amine

Properties

Molecular formula: C₆H₇BrN₂O₂S
Molar mass: 251.10 g/mol
Exact mass: 249.9412 Da
logP: 1.66Crippen estimate
Polar surface area: 65.2 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

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

61830-21-5

SMILES

CCOC(=O)C1=C(SC(=N1)N)Br

InChIKey

TWGNDRMYYDZGFI-UHFFFAOYSA-N

InChI

InChI=1S/C6H7BrN2O2S/c1-2-11-5(10)3-4(7)12-6(8)9-3/h2H2,1H3,(H2,8,9)

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Names and synonyms

1 names

Ethyl 2-amino-5-bromothiazole-4-carboxylate

Work with Ethyl 2-amino-5-bromo-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

Ethyl 2-amino-4-methylthiazole-5-carboxylate7210-76-656 % similar Ethyl 5-bromo-1,3-thiazole-4-carboxylate61830-23-755 % similar Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate64837-53-252 % similar Ethyl 2-aminothiazole-5-carboxylate32955-21-850 % similar Ethyl 2-amino-4-phenyl-5-thiazolecarboxylate64399-23-149 % similar Ethyl 2-bromo-4-methyl-1,3-thiazole-5-carboxylate22900-83-046 % similar Ethyl2-bromothiophene-3-carboxylate632325-50-945 % similar Ethyl 2-bromothiazole-4-carboxylate100367-77-944 % similar

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

Elsewhere

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