3-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

C17H13ClN2S — CID 2806458

IUPAC3-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(C2=C(c3ccccc3)SC3=NCCN32)cc1
InChIInChI=1S/C17H13ClN2S/c18-14-8-6-12(7-9-14)15-16(13-4-2-1-3-5-13)21-17-19-10-11-20(15)17/h1-9H,10-11H2
InChIKeyZIGBVIWRKJGXNQ-UHFFFAOYSA-N
MW312.83 g/mol
LogP4.58
Rot. Bonds2

About 3-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole

3-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (PubChem CID 2806458) has the molecular formula C17H13ClN2S and a molecular weight of 312.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
PubChem CID2806458
Molecular FormulaC17H13ClN2S
Molecular Weight312.83 g/mol
Exact Mass312.05
IUPAC Name3-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
SMILESClc1ccc(C2=C(c3ccccc3)SC3=NCCN32)cc1
InChIInChI=1S/C17H13ClN2S/c18-14-8-6-12(7-9-14)15-16(13-4-2-1-3-5-13)21-17-19-10-11-20(15)17/h1-9H,10-11H2
InChIKeyZIGBVIWRKJGXNQ-UHFFFAOYSA-N
XLogP4.58
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.83
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole 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 3-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 3-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole (CID 2806458) is 3-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 3-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is Clc1ccc(C2=C(c3ccccc3)SC3=NCCN32)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
The InChIKey is ZIGBVIWRKJGXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2S/c18-14-8-6-12(7-9-14)15-16(13-4-2-1-3-5-13)21-17-19-10-11-20(15)17/h1-9H,10-11H2.
What are the key properties of 3-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole?
3-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole has a molecular weight of 312.83 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 2806458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).