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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Related Compounds

2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole
CID 71779003
[4-[(4-chloro-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-(5-thiophen-2-ylpyrazolidin-3-yl)methanone
CID 75278376
4-chloro-N-pyrrolidin-3-yl-1,3-benzothiazol-2-amine
CID 82192008
2-(2-methylpropyl)-4-piperidin-4-yloxy-1,3-benzothiazole
CID 82190283
(5-bromo-3-pyridinyl)-[3-[(4-chloro-1,3-benzothiazol-2-yl)oxy]azetidin-1-yl]methanone
CID 71796217
5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride
CID 71779004
4-chloro-2-(piperidin-2-ylmethyl)-1,3-benzothiazole
CID 84640324
N-(4-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 42732995
2-chloro-6-piperidin-4-yloxybenzonitrile
CID 62497393
N-(4-chloro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4563812
carbonic acid;4-(2-chlorophenoxy)piperidine
CID 23722971
4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine
CID 53322027

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).