7-chloro-3-piperazin-1-yl-1,2-benzothiazole

C11H12ClN3S — CID 71314807

IUPAC7-chloro-3-piperazin-1-yl-1,2-benzothiazole
SMILESClc1cccc2c(N3CCNCC3)nsc12
InChIInChI=1S/C11H12ClN3S/c12-9-3-1-2-8-10(9)16-14-11(8)15-6-4-13-5-7-15/h1-3,13H,4-7H2
InChIKeyWJJKSAHZKIEDHU-UHFFFAOYSA-N
MW253.76 g/mol
LogP2.36
Rot. Bonds1

About 7-chloro-3-piperazin-1-yl-1,2-benzothiazole

7-chloro-3-piperazin-1-yl-1,2-benzothiazole (PubChem CID 71314807) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 7-chloro-3-piperazin-1-yl-1,2-benzothiazole.

Molecular Properties

Compound Name7-chloro-3-piperazin-1-yl-1,2-benzothiazole
PubChem CID71314807
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name7-chloro-3-piperazin-1-yl-1,2-benzothiazole
SMILESClc1cccc2c(N3CCNCC3)nsc12
InChIInChI=1S/C11H12ClN3S/c12-9-3-1-2-8-10(9)16-14-11(8)15-6-4-13-5-7-15/h1-3,13H,4-7H2
InChIKeyWJJKSAHZKIEDHU-UHFFFAOYSA-N
XLogP2.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-piperazin-1-yl-1,2-benzothiazole
CID 19885458
5-chloro-3-piperazin-1-yl-1,2-benzothiazole
CID 71314805
3-piperazin-1-yl-1,2-benzothiazole;sulfuric acid;hydrate
CID 24784011
imidazolidin-2-one;3-piperazin-1-yl-1,2-benzothiazole
CID 68736027
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683
1-(2-chlorophenyl)piperazine;1-(2-chlorophenyl)piperidine;hydrochloride
CID 157420030
4-methoxy-3-piperazin-1-yl-1,2-benzothiazole
CID 15169803
1-(2-chlorophenyl)piperazine
CID 162116490
3-pyrrolidin-1-yl-1,2-benzothiazole
CID 11074496
8-chloro-3-methyl-2-piperazin-1-ylquinoline
CID 84638749
3-chloro-1-piperazin-1-ylisoquinoline
CID 23155794
3-chloro-2-piperazin-1-ylphenol
CID 84679423

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-piperazin-1-yl-1,2-benzothiazole?
The IUPAC name of 7-chloro-3-piperazin-1-yl-1,2-benzothiazole (CID 71314807) is 7-chloro-3-piperazin-1-yl-1,2-benzothiazole.
What is the SMILES notation for 7-chloro-3-piperazin-1-yl-1,2-benzothiazole?
The canonical SMILES for 7-chloro-3-piperazin-1-yl-1,2-benzothiazole is Clc1cccc2c(N3CCNCC3)nsc12.
What is the InChIKey of 7-chloro-3-piperazin-1-yl-1,2-benzothiazole?
The InChIKey is WJJKSAHZKIEDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c12-9-3-1-2-8-10(9)16-14-11(8)15-6-4-13-5-7-15/h1-3,13H,4-7H2.
What are the key properties of 7-chloro-3-piperazin-1-yl-1,2-benzothiazole?
7-chloro-3-piperazin-1-yl-1,2-benzothiazole has a molecular weight of 253.76 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-piperazin-1-yl-1,2-benzothiazole is sourced from PubChem (CID 71314807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).