chempirical

5-Bromo-2-benzothiazolamine

C7H5BrN2SCAS 20358-03-6229.09 g/mol

Open in Covalent MOL file
HNHNBrS
Aryl halide

Properties

Molecular formula
C7H5BrN2S
Molar mass
229.09 g/mol
Exact mass
227.9357 Da
Melting point
195–197 °C
logP
2.47Crippen estimate
Polar surface area
39.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
20358-03-6
SMILES
N=c1[nH]c2cc(Br)ccc2s1
InChIKey
ZPUJTWBWSOOMRP-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrN2S/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)

Weigh it out

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

Names and synonyms

7 names
  • 2-Benzothiazolamine, 5-bromo-
  • Benzothiazole, 2-amino-5-bromo-
  • (5-Bromobenzothiazol-2-yl)amine
  • 2-Amino-5-bromobenzothiazole
  • 5-Bromobenzo[d]thiazol-2-amine
  • 2-Amino-5-bromo-1,3-benzothiazole
  • 5-Bromo-2-aminobenzothiazole

Work with 5-Bromo-2-benzothiazolamine

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-Methyl-2-benzothiazolamine14779-17-058 % similar 5-Chloro-2-benzothiazolamine20358-00-358 % similar 5-Methoxy-2-benzothiazolamine54346-87-153 % similar 2-Aminobenzothiazole136-95-852 % similar 2-Amino-6-benzothiazolol26278-79-549 % similar 2-Amino-5,6-dichlorobenzothiazole24072-75-147 % similar 5,6-Dimethyl-2-benzothiazolamine29927-08-047 % similar 2-Amino-6-fluorobenzothiazole348-40-344 % similar

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

Same formula

2-Amino-6-bromobenzothiazole15864-32-1 4-Bromo-2-benzothiazolamine20358-02-5

Elsewhere

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