4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole

C12H13ClN2OS — CID 52903650

IUPAC4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole
SMILESClc1cccc2sc(OC3CCNCC3)nc12
InChIInChI=1S/C12H13ClN2OS/c13-9-2-1-3-10-11(9)15-12(17-10)16-8-4-6-14-7-5-8/h1-3,8,14H,4-7H2
InChIKeyZHGZXOKIJKCLDW-UHFFFAOYSA-N
MW268.77 g/mol
LogP3.08
Rot. Bonds2

About 4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole

4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole (PubChem CID 52903650) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is 4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole.

Molecular Properties

Compound Name4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole
PubChem CID52903650
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole
SMILESClc1cccc2sc(OC3CCNCC3)nc12
InChIInChI=1S/C12H13ClN2OS/c13-9-2-1-3-10-11(9)15-12(17-10)16-8-4-6-14-7-5-8/h1-3,8,14H,4-7H2
InChIKeyZHGZXOKIJKCLDW-UHFFFAOYSA-N
XLogP3.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole?
The IUPAC name of 4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole (CID 52903650) is 4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole.
What is the SMILES notation for 4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole?
The canonical SMILES for 4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole is Clc1cccc2sc(OC3CCNCC3)nc12.
What is the InChIKey of 4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole?
The InChIKey is ZHGZXOKIJKCLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c13-9-2-1-3-10-11(9)15-12(17-10)16-8-4-6-14-7-5-8/h1-3,8,14H,4-7H2.
What are the key properties of 4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole?
4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole has a molecular weight of 268.77 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-piperidin-4-yloxy-1,3-benzothiazole is sourced from PubChem (CID 52903650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).