5-phenylimidazo[5,1-b][1,3]thiazole-7-carbaldehyde

C12H8N2OS — CID 18922493

IUPAC5-phenylimidazo[5,1-b][1,3]thiazole-7-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)n2ccsc12
InChIInChI=1S/C12H8N2OS/c15-8-10-12-14(6-7-16-12)11(13-10)9-4-2-1-3-5-9/h1-8H
InChIKeyMCQIDXQJGBHTOQ-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.88
Rot. Bonds2

About 5-phenylimidazo[5,1-b][1,3]thiazole-7-carbaldehyde

5-phenylimidazo[5,1-b][1,3]thiazole-7-carbaldehyde (PubChem CID 18922493) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 5-phenylimidazo[5,1-b][1,3]thiazole-7-carbaldehyde.

Molecular Properties

Compound Name5-phenylimidazo[5,1-b][1,3]thiazole-7-carbaldehyde
PubChem CID18922493
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name5-phenylimidazo[5,1-b][1,3]thiazole-7-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)n2ccsc12
InChIInChI=1S/C12H8N2OS/c15-8-10-12-14(6-7-16-12)11(13-10)9-4-2-1-3-5-9/h1-8H
InChIKeyMCQIDXQJGBHTOQ-UHFFFAOYSA-N
XLogP2.88
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-phenylimidazo[5,1-b][1,3]thiazole-7-carbaldehyde 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 5-phenylimidazo[5,1-b][1,3]thiazole-7-carbaldehyde?
The IUPAC name of 5-phenylimidazo[5,1-b][1,3]thiazole-7-carbaldehyde (CID 18922493) is 5-phenylimidazo[5,1-b][1,3]thiazole-7-carbaldehyde.
What is the SMILES notation for 5-phenylimidazo[5,1-b][1,3]thiazole-7-carbaldehyde?
The canonical SMILES for 5-phenylimidazo[5,1-b][1,3]thiazole-7-carbaldehyde is O=Cc1nc(-c2ccccc2)n2ccsc12.
What is the InChIKey of 5-phenylimidazo[5,1-b][1,3]thiazole-7-carbaldehyde?
The InChIKey is MCQIDXQJGBHTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c15-8-10-12-14(6-7-16-12)11(13-10)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-phenylimidazo[5,1-b][1,3]thiazole-7-carbaldehyde?
5-phenylimidazo[5,1-b][1,3]thiazole-7-carbaldehyde has a molecular weight of 228.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylimidazo[5,1-b][1,3]thiazole-7-carbaldehyde is sourced from PubChem (CID 18922493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).