2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole

C10H9ClN2OS — CID 71779003

IUPAC2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole
SMILESClc1cccc2sc(OC3CNC3)nc12
InChIInChI=1S/C10H9ClN2OS/c11-7-2-1-3-8-9(7)13-10(15-8)14-6-4-12-5-6/h1-3,6,12H,4-5H2
InChIKeyPRSVCYLVTIAJCR-UHFFFAOYSA-N
MW240.71 g/mol
LogP2.30
Rot. Bonds2

About 2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole

2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole (PubChem CID 71779003) has the molecular formula C10H9ClN2OS and a molecular weight of 240.71 g/mol. Its IUPAC name is 2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole
PubChem CID71779003
Molecular FormulaC10H9ClN2OS
Molecular Weight240.71 g/mol
Exact Mass240.01
IUPAC Name2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole
SMILESClc1cccc2sc(OC3CNC3)nc12
InChIInChI=1S/C10H9ClN2OS/c11-7-2-1-3-8-9(7)13-10(15-8)14-6-4-12-5-6/h1-3,6,12H,4-5H2
InChIKeyPRSVCYLVTIAJCR-UHFFFAOYSA-N
XLogP2.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole?
The IUPAC name of 2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole (CID 71779003) is 2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole.
What is the SMILES notation for 2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole?
The canonical SMILES for 2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole is Clc1cccc2sc(OC3CNC3)nc12.
What is the InChIKey of 2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole?
The InChIKey is PRSVCYLVTIAJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-7-2-1-3-8-9(7)13-10(15-8)14-6-4-12-5-6/h1-3,6,12H,4-5H2.
What are the key properties of 2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole?
2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole has a molecular weight of 240.71 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yloxy)-4-chloro-1,3-benzothiazole is sourced from PubChem (CID 71779003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).