4-imidazo[2,1-b][1,3]thiazol-2-ylbenzaldehyde

C12H8N2OS — CID 15229609

IUPAC4-imidazo[2,1-b][1,3]thiazol-2-ylbenzaldehyde
SMILESO=Cc1ccc(-c2cn3ccnc3s2)cc1
InChIInChI=1S/C12H8N2OS/c15-8-9-1-3-10(4-2-9)11-7-14-6-5-13-12(14)16-11/h1-8H
InChIKeyKLIPXFDIMCXFCT-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.88
Rot. Bonds2

About 4-imidazo[2,1-b][1,3]thiazol-2-ylbenzaldehyde

4-imidazo[2,1-b][1,3]thiazol-2-ylbenzaldehyde (PubChem CID 15229609) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 4-imidazo[2,1-b][1,3]thiazol-2-ylbenzaldehyde.

Molecular Properties

Compound Name4-imidazo[2,1-b][1,3]thiazol-2-ylbenzaldehyde
PubChem CID15229609
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name4-imidazo[2,1-b][1,3]thiazol-2-ylbenzaldehyde
SMILESO=Cc1ccc(-c2cn3ccnc3s2)cc1
InChIInChI=1S/C12H8N2OS/c15-8-9-1-3-10(4-2-9)11-7-14-6-5-13-12(14)16-11/h1-8H
InChIKeyKLIPXFDIMCXFCT-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 4-imidazo[2,1-b][1,3]thiazol-2-ylbenzaldehyde 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 4-imidazo[2,1-b][1,3]thiazol-2-ylbenzaldehyde?
The IUPAC name of 4-imidazo[2,1-b][1,3]thiazol-2-ylbenzaldehyde (CID 15229609) is 4-imidazo[2,1-b][1,3]thiazol-2-ylbenzaldehyde.
What is the SMILES notation for 4-imidazo[2,1-b][1,3]thiazol-2-ylbenzaldehyde?
The canonical SMILES for 4-imidazo[2,1-b][1,3]thiazol-2-ylbenzaldehyde is O=Cc1ccc(-c2cn3ccnc3s2)cc1.
What is the InChIKey of 4-imidazo[2,1-b][1,3]thiazol-2-ylbenzaldehyde?
The InChIKey is KLIPXFDIMCXFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c15-8-9-1-3-10(4-2-9)11-7-14-6-5-13-12(14)16-11/h1-8H.
What are the key properties of 4-imidazo[2,1-b][1,3]thiazol-2-ylbenzaldehyde?
4-imidazo[2,1-b][1,3]thiazol-2-ylbenzaldehyde 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 4-imidazo[2,1-b][1,3]thiazol-2-ylbenzaldehyde is sourced from PubChem (CID 15229609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).