2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole

C15H9ClN2S — CID 667714

IUPAC2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESClc1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C15H9ClN2S/c16-11-7-5-10(6-8-11)12-9-18-13-3-1-2-4-14(13)19-15(18)17-12/h1-9H
InChIKeyPOOOQPHNOURAEX-UHFFFAOYSA-N
MW284.77 g/mol
LogP4.87
Rot. Bonds1

About 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole

2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole (PubChem CID 667714) has the molecular formula C15H9ClN2S and a molecular weight of 284.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole
PubChem CID667714
Molecular FormulaC15H9ClN2S
Molecular Weight284.77 g/mol
Exact Mass284.02
IUPAC Name2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole
SMILESClc1ccc(-c2cn3c(n2)sc2ccccc23)cc1
InChIInChI=1S/C15H9ClN2S/c16-11-7-5-10(6-8-11)12-9-18-13-3-1-2-4-14(13)19-15(18)17-12/h1-9H
InChIKeyPOOOQPHNOURAEX-UHFFFAOYSA-N
XLogP4.87
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.77
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)imidazo[2,1-b][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-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole?
The IUPAC name of 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole (CID 667714) is 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole is Clc1ccc(-c2cn3c(n2)sc2ccccc23)cc1.
What is the InChIKey of 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole?
The InChIKey is POOOQPHNOURAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2S/c16-11-7-5-10(6-8-11)12-9-18-13-3-1-2-4-14(13)19-15(18)17-12/h1-9H.
What are the key properties of 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole?
2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole has a molecular weight of 284.77 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 667714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).