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

C12H13ClN2S — CID 79528887

IUPAC6-chloro-2-piperidin-2-yl-1,3-benzothiazole
SMILESClc1ccc2nc(C3CCCCN3)sc2c1
InChIInChI=1S/C12H13ClN2S/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2
InChIKeyYILPDLXPPYXGMX-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.76
Rot. Bonds1

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

6-chloro-2-piperidin-2-yl-1,3-benzothiazole (PubChem CID 79528887) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 6-chloro-2-piperidin-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-piperidin-2-yl-1,3-benzothiazole
PubChem CID79528887
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name6-chloro-2-piperidin-2-yl-1,3-benzothiazole
SMILESClc1ccc2nc(C3CCCCN3)sc2c1
InChIInChI=1S/C12H13ClN2S/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2
InChIKeyYILPDLXPPYXGMX-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-2-yl)-5-chloro-1,3-benzothiazole
CID 64560708
2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-6-chloro-1,3-benzothiazole
CID 79525130
6-chloro-2-piperidin-3-yl-1,3-benzothiazole
CID 79528193
2-pyrrolidin-2-yl-1,3-benzothiazole-6-carboxylic acid
CID 82383424
2-bromo-6-chloro-1,3-benzothiazole
CID 11499762
4-bromo-6-methyl-2-piperidin-2-yl-1,3-benzothiazole
CID 84645394
2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole
CID 79528719
4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole
CID 62542301
4-(5-chloro-2-methoxyphenyl)-2-piperidin-2-yl-1,3-thiazole
CID 67357807
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
2-ethyl-6-pyrrolidin-2-yl-1,3-benzothiazole
CID 84696097
2-(azepan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 65335157

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-piperidin-2-yl-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-piperidin-2-yl-1,3-benzothiazole (CID 79528887) is 6-chloro-2-piperidin-2-yl-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-piperidin-2-yl-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-piperidin-2-yl-1,3-benzothiazole is Clc1ccc2nc(C3CCCCN3)sc2c1.
What is the InChIKey of 6-chloro-2-piperidin-2-yl-1,3-benzothiazole?
The InChIKey is YILPDLXPPYXGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h4-5,7,10,14H,1-3,6H2.
What are the key properties of 6-chloro-2-piperidin-2-yl-1,3-benzothiazole?
6-chloro-2-piperidin-2-yl-1,3-benzothiazole has a molecular weight of 252.77 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-piperidin-2-yl-1,3-benzothiazole is sourced from PubChem (CID 79528887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).