CAS 6278-73-5|4-(1,3-Benzothiazol-2-yl)phenylamine|4-(1,3-benzothiazol-2-yl)aniline|4-(1,3-benzothiazol-2-yl)aniline|4-(1,3-benzothiazol-2-yl)aniline|[4-(1,3-benzothiazol-2-yl)phenyl]amine|2-(4-Amin...

General Information

Structure

Molecular Formula

C₁₃H₁₀N₂S

Molecular Mass

226.2969

Exact Mass

226.05646933

Charge

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

InChIKey

WKRCOZSCENDENK-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(cc1)c1nc2c(s1)cccc2

Isomeric Smiles

c1(c2ccc(cc2)N)nc2c(s1)cccc2

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.307167

LogD (pH = 7.4)

3.309289

Log P

3.3093162

Molar Refractivity

76.9307

Polarizability

27.099012

Polar Surface Area

38.91

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

4-(1,3-benzothiazol-2-yl)aniline

IUPAC name

4-(1,3-benzothiazol-2-yl)aniline

Synonyms

4-(1,3-Benzothiazol-2-yl)phenylamine4-(1,3-benzothiazol-2-yl)aniline[4-(1,3-benzothiazol-2-yl)phenyl]amine2-(4-Aminophenyl)benzothiazole4-(benzo[d]thiazol-2-yl)aniline4-Benzothiazol-2-yl-phenylamine4-(2-苯并噻唑基)苯胺4-(2-Benzothiazolyl)aniline

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties