2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C20H16N2OS — CID 82036098

About 2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 82036098) has the molecular formula C20H16N2OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

• Compound Name: 2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
• PubChem CID: 82036098
• Molecular Formula: C20H16N2OS
• Molecular Weight: 332.43 g/mol
• Exact Mass: 332.10
• IUPAC Name: 2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
• SMILES: Cc1sc2nc(-c3ccc(-c4ccccc4)cc3)c(C=O)n2c1C
• InChI: InChI=1S/C20H16N2OS/c1-13-14(2)24-20-21-19(18(12-23)22(13)20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12H,1-2H3
• InChIKey: GSIUEGDPINNRHR-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 34.37 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	332.43
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?

The IUPAC name of 2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 82036098) is 2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

What is the SMILES notation for 2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?

The canonical SMILES for 2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cc1sc2nc(-c3ccc(-c4ccccc4)cc3)c(C=O)n2c1C.

What is the InChIKey of 2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?

The InChIKey is GSIUEGDPINNRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2OS/c1-13-14(2)24-20-21-19(18(12-23)22(13)20)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-12H,1-2H3.

What are the key properties of 2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?

2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 332.43 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 82036098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).