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

C11H12ClN3S — CID 2746595

IUPAC6-chloro-2-piperazin-1-yl-1,3-benzothiazole
SMILESClc1ccc2nc(N3CCNCC3)sc2c1
InChIInChI=1S/C11H12ClN3S/c12-8-1-2-9-10(7-8)16-11(14-9)15-5-3-13-4-6-15/h1-2,7,13H,3-6H2
InChIKeyHKQTVOYPBKNRJL-UHFFFAOYSA-N
MW253.76 g/mol
LogP2.36
Rot. Bonds1

About 6-chloro-2-piperazin-1-yl-1,3-benzothiazole

6-chloro-2-piperazin-1-yl-1,3-benzothiazole (PubChem CID 2746595) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 6-chloro-2-piperazin-1-yl-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-piperazin-1-yl-1,3-benzothiazole
PubChem CID2746595
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name6-chloro-2-piperazin-1-yl-1,3-benzothiazole
SMILESClc1ccc2nc(N3CCNCC3)sc2c1
InChIInChI=1S/C11H12ClN3S/c12-8-1-2-9-10(7-8)16-11(14-9)15-5-3-13-4-6-15/h1-2,7,13H,3-6H2
InChIKeyHKQTVOYPBKNRJL-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

6-Chloro-2-benzothiazolamine
CID 7226
2-Piperazin-1-yl-1,3-benzothiazole
CID 592122
N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 959639
N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 673490
N-(6-Chloro-benzothiazol-2-yl)-2-morpholin-4-yl-acetamide
CID 6489804
6-Chloro-2-hydrazinyl-1,3-benzothiazole
CID 737197
N-Ethyl-2-benzothiazolamine
CID 34201
N-Cyclohexyl-2-benzothiazol-amine
CID 591790
N-(3-(1H-imidazol-1-yl)propyl)-6-chlorobenzo[d]thiazol-2-amine
CID 6539204
N,N'-bis(6-chloro-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 44441054
N,N'-bis(6-chloro-1,3-benzothiazol-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 44441074
1-[4-(6-Chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 2746594

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-piperazin-1-yl-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-piperazin-1-yl-1,3-benzothiazole (CID 2746595) is 6-chloro-2-piperazin-1-yl-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-piperazin-1-yl-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-piperazin-1-yl-1,3-benzothiazole is Clc1ccc2nc(N3CCNCC3)sc2c1.
What is the InChIKey of 6-chloro-2-piperazin-1-yl-1,3-benzothiazole?
The InChIKey is HKQTVOYPBKNRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c12-8-1-2-9-10(7-8)16-11(14-9)15-5-3-13-4-6-15/h1-2,7,13H,3-6H2.
What are the key properties of 6-chloro-2-piperazin-1-yl-1,3-benzothiazole?
6-chloro-2-piperazin-1-yl-1,3-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 6-chloro-2-piperazin-1-yl-1,3-benzothiazole is sourced from PubChem (CID 2746595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).