chempirical

4-(3-Bromo-phenyl)-thiazol-2-ylamine

C9H7BrN2SCAS 105512-81-0255.13 g/mol

Open in Covalent MOL file
BrSNNH2
Aryl halidePrimary amine

Properties

Molecular formula
C9H7BrN2S
Molar mass
255.13 g/mol
Exact mass
253.9513 Da
logP
3.15Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
105512-81-0
SMILES
C1=CC(=CC(=C1)Br)C2=CSC(=N2)N
InChIKey
PDNKBFMOKUBDDR-UHFFFAOYSA-N
InChI
InChI=1S/C9H7BrN2S/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)

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Names and synonyms

1 names
  • 4-(3-Bromophenyl)-1,3-thiazol-2-amine

Work with 4-(3-Bromo-phenyl)-thiazol-2-ylamine

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

4-(3,4-Dimethyl-phenyl)-thiazol-2-ylamine104296-00-654 % similar 2-(3-Bromophenyl)pyridine4373-60-846 % similar 4-(2,5-Dimethylphenyl)-1,3-thiazol-2-amine101967-39-943 % similar 4-(5-Chloro-2-thienyl)-1,3-thiazol-2-amine123971-45-943 % similar 3-Bromobiphenyl2113-57-743 % similar 3-Bromo-3′-chloro-1,1′-biphenyl844856-42-439 % similar 3-Bromoaniline591-19-539 % similar 2-(3-Bromophenyl)benzoxazole99586-31-938 % similar

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

Elsewhere

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