chempirical

2-(4-Aminophenyl)benzothiazole

C13H10N2SCAS 6278-73-5226.30 g/mol

Open in Covalent MOL file
H2NNS
Primary amine

Properties

Molecular formula
C13H10N2S
Molar mass
226.30 g/mol
Exact mass
226.0565 Da
Melting point
150–153 °C
logP
3.55Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
6278-73-5
SMILES
Nc1ccc(-c2nc3ccccc3s2)cc1
InChIKey
WKRCOZSCENDENK-UHFFFAOYSA-N
InChI
InChI=1S/C13H10N2S/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,14H2

Weigh it out

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

Names and synonyms

13 names · show all
  • Benzenamine, 4-(2-benzothiazolyl)-
  • Benzothiazole, 2-(p-aminophenyl)-
  • 4-(2-Benzothiazolyl)benzenamine
  • 2-(p-Aminophenyl)benzothiazole
  • 2-(4′-Aminophenyl)benzothiazole
  • CJM 126
  • NSC 34445
  • 4-(Benzothiazol-2-yl)phenylamine
  • 2-(4-Aminophenyl)-1,3-benzothiazole
  • 4-(Benzothiazol-2-yl)aniline
  • 4-(Benzo[d]thiazol-2-yl)aniline
  • 4-(Benzo[d]thiazol-2-yl)benzenamine
  • 2-(4-Aminophenyl)benzo[d]thiazole

Work with 2-(4-Aminophenyl)benzothiazole

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

2-Phenylbenzothiazole883-93-270 % similar 2-(4-Bromophenyl)benzothiazole19654-19-465 % similar 2-(4-Aminophenyl)-6-methylbenzothiazole92-36-461 % similar 2-(2′-Hydroxyphenyl)benzothiazole3411-95-847 % similar 2-Hydrazinylbenzothiazole615-21-444 % similar 2-(P-Aminophenyl)benzoxazole20934-81-044 % similar 2-Fluorobenzothiazole1123-98-443 % similar 2-Methylbenzothiazole120-75-243 % similar

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

Same formula

2-Amino-4-(2-naphthyl)thiazole21331-43-1 4-(1-Naphthalenyl)-2-thiazolamine56503-96-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook