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

C21H17Cl2N3OS — CID 121038539

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

N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (PubChem CID 121038539) has the molecular formula C21H17Cl2N3OS and a molecular weight of 430.36 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
• PubChem CID: 121038539
• Molecular Formula: C21H17Cl2N3OS
• Molecular Weight: 430.36 g/mol
• Exact Mass: 429.05
• IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
• SMILES: O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NCCc1ccc(Cl)cc1
• InChI: InChI=1S/C21H17Cl2N3OS/c22-16-5-1-14(2-6-16)9-10-24-20(27)11-18-13-28-21-25-19(12-26(18)21)15-3-7-17(23)8-4-15/h1-8,12-13H,9-11H2,(H,24,27)
• InChIKey: XBUJFVADBPMSOU-UHFFFAOYSA-N
• XLogP: 5.27
• 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	430.36
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide (CID 121038539) is N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide.

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

The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)NCCc1ccc(Cl)cc1.

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

The InChIKey is XBUJFVADBPMSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3OS/c22-16-5-1-14(2-6-16)9-10-24-20(27)11-18-13-28-21-25-19(12-26(18)21)15-3-7-17(23)8-4-15/h1-8,12-13H,9-11H2,(H,24,27).

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

N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide has a molecular weight of 430.36 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)ethyl]-2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide is sourced from PubChem (CID 121038539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).