2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole

C13H13ClN2S — CID 79528719

IUPAC2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole
SMILESClc1ccc2nc(C3CC4CCC3N4)sc2c1
InChIInChI=1S/C13H13ClN2S/c14-7-1-3-11-12(5-7)17-13(16-11)9-6-8-2-4-10(9)15-8/h1,3,5,8-10,15H,2,4,6H2
InChIKeyYLKWHZSNPPJTLD-UHFFFAOYSA-N
MW264.78 g/mol
LogP3.56
Rot. Bonds1

About 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole

2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole (PubChem CID 79528719) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole
PubChem CID79528719
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole
SMILESClc1ccc2nc(C3CC4CCC3N4)sc2c1
InChIInChI=1S/C13H13ClN2S/c14-7-1-3-11-12(5-7)17-13(16-11)9-6-8-2-4-10(9)15-8/h1,3,5,8-10,15H,2,4,6H2
InChIKeyYLKWHZSNPPJTLD-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-2-yl-1,3-benzothiazole
CID 79528887
2-(2,4-dichlorophenyl)-7-azabicyclo[2.2.1]heptane
CID 67803634
6-chloro-2-piperidin-3-yl-1,3-benzothiazole
CID 79528193
2-bromo-6-chloro-1,3-benzothiazole
CID 11499762
3-(5-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 66030593
5-chloro-2-pyrrolidin-3-yl-1,3-benzothiazole
CID 63030611
2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole
CID 70116443
6-chloro-2-iodo-1,3-benzothiazole
CID 18967167
2-(azepan-2-yl)-5-chloro-1,3-benzothiazole
CID 64560708
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
5-(5-chloro-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 175964104

Frequently Asked Questions

What is the IUPAC name of 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole?
The IUPAC name of 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole (CID 79528719) is 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole.
What is the SMILES notation for 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole?
The canonical SMILES for 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole is Clc1ccc2nc(C3CC4CCC3N4)sc2c1.
What is the InChIKey of 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole?
The InChIKey is YLKWHZSNPPJTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c14-7-1-3-11-12(5-7)17-13(16-11)9-6-8-2-4-10(9)15-8/h1,3,5,8-10,15H,2,4,6H2.
What are the key properties of 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole?
2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole has a molecular weight of 264.78 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-azabicyclo[2.2.1]heptan-2-yl)-6-chloro-1,3-benzothiazole is sourced from PubChem (CID 79528719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).