3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide

C22H20ClN3OS — CID 30939832

About 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide

3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide (PubChem CID 30939832) has the molecular formula C22H20ClN3OS and a molecular weight of 409.94 g/mol. Its IUPAC name is 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide
• PubChem CID: 30939832
• Molecular Formula: C22H20ClN3OS
• Molecular Weight: 409.94 g/mol
• Exact Mass: 409.10
• IUPAC Name: 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide
• SMILES: CCc1ccc(NC(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1
• InChI: InChI=1S/C22H20ClN3OS/c1-2-15-3-9-18(10-4-15)24-21(27)12-11-19-14-28-22-25-20(13-26(19)22)16-5-7-17(23)8-6-16/h3-10,13-14H,2,11-12H2,1H3,(H,24,27)
• InChIKey: UNPATYJQJVOMBB-UHFFFAOYSA-N
• XLogP: 5.85
• TPSA: 46.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.94
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide?

The IUPAC name of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide (CID 30939832) is 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide.

What is the SMILES notation for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide?

The canonical SMILES for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1.

What is the InChIKey of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide?

The InChIKey is UNPATYJQJVOMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3OS/c1-2-15-3-9-18(10-4-15)24-21(27)12-11-19-14-28-22-25-20(13-26(19)22)16-5-7-17(23)8-6-16/h3-10,13-14H,2,11-12H2,1H3,(H,24,27).

What are the key properties of 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide?

3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide has a molecular weight of 409.94 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 30939832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).