CAS 87691-87-0|CAS 144010-02-6|3-(1-Piperazinyl)-1,2-benzisothiazole|3-(piperazin-1-yl)-1,2-benzothiazole|3-(piperazin-1-yl)-1,2-benzothiazole|3-Piperazin-1-yl-benzo[d]isothiazole|3-(1-Piperazinyl)-...

General Information

Structure

Molecular Formula

C₁₁H₁₃N₃S

Molecular Mass

219.30602

Exact Mass

219.08301843

Charge

InChI

InChI=1S/C11H13N3S/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14/h1-4,12H,5-8H2

InChIKey

KRDOFMHJLWKXIU-UHFFFAOYSA-N

Canonic Smiles

N1CCN(CC1)c1nsc2c1cccc2

Isomeric Smiles

c1(nsc2c1cccc2)N1CCNCC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-0.7215332

LogD (pH = 7.4)

0.8770758

Log P

2.2050152

Molar Refractivity

63.7308

Polarizability

24.920584

Polar Surface Area

28.16

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

3-(1-Piperazinyl)-1,2-benzisothiazole3-Piperazin-1-yl-benzo[d]isothiazole3-(1-Piperazinyl)-1,2-benzisothiazoleN-(3-Benzisothiazolyl)piperazine3-(Piperazin-1-yl)benzoisothiazole3-Piperazin-1-yl-benzo[d]isothiazole3-(piperazin-1-yl)benzo[d]isothiazole1-(1,2-Benzisothiazol-3-yl)piperazine

IUPAC name

3-(piperazin-1-yl)-1,2-benzothiazole

IUPAC Traditional name

3-(piperazin-1-yl)-1,2-benzothiazole

Names and Identifiers

Registration numbers

CAS Number

87691-87-0144010-02-6

MDL Number

MFCD04117970

Beilstein Number

4253627