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

C12H13ClN2S — CID 2741379

IUPAC6-chloro-2-piperidin-1-yl-1,3-benzothiazole
SMILESClc1ccc2nc(N3CCCCC3)sc2c1
InChIInChI=1S/C12H13ClN2S/c13-9-4-5-10-11(8-9)16-12(14-10)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2
InChIKeyAMPMJDZQHGJUFG-UHFFFAOYSA-N
MW252.77 g/mol
LogP3.94
Rot. Bonds1

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

6-chloro-2-piperidin-1-yl-1,3-benzothiazole (PubChem CID 2741379) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is 6-chloro-2-piperidin-1-yl-1,3-benzothiazole.

Molecular Properties

Compound Name6-chloro-2-piperidin-1-yl-1,3-benzothiazole
PubChem CID2741379
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name6-chloro-2-piperidin-1-yl-1,3-benzothiazole
SMILESClc1ccc2nc(N3CCCCC3)sc2c1
InChIInChI=1S/C12H13ClN2S/c13-9-4-5-10-11(8-9)16-12(14-10)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2
InChIKeyAMPMJDZQHGJUFG-UHFFFAOYSA-N
XLogP3.94
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-piperidin-1-yl-1,3-benzothiazole?
The IUPAC name of 6-chloro-2-piperidin-1-yl-1,3-benzothiazole (CID 2741379) is 6-chloro-2-piperidin-1-yl-1,3-benzothiazole.
What is the SMILES notation for 6-chloro-2-piperidin-1-yl-1,3-benzothiazole?
The canonical SMILES for 6-chloro-2-piperidin-1-yl-1,3-benzothiazole is Clc1ccc2nc(N3CCCCC3)sc2c1.
What is the InChIKey of 6-chloro-2-piperidin-1-yl-1,3-benzothiazole?
The InChIKey is AMPMJDZQHGJUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2S/c13-9-4-5-10-11(8-9)16-12(14-10)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7H2.
What are the key properties of 6-chloro-2-piperidin-1-yl-1,3-benzothiazole?
6-chloro-2-piperidin-1-yl-1,3-benzothiazole has a molecular weight of 252.77 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-piperidin-1-yl-1,3-benzothiazole is sourced from PubChem (CID 2741379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).