2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide

C22H16N4OS2 — CID 39723703

About 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide

2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide (PubChem CID 39723703) has the molecular formula C22H16N4OS2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
• PubChem CID: 39723703
• Molecular Formula: C22H16N4OS2
• Molecular Weight: 416.53 g/mol
• Exact Mass: 416.08
• IUPAC Name: 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
• SMILES: O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(-c2nccs2)cc1
• InChI: InChI=1S/C22H16N4OS2/c27-20(24-17-8-6-16(7-9-17)21-23-10-11-28-21)12-18-14-29-22-25-19(13-26(18)22)15-4-2-1-3-5-15/h1-11,13-14H,12H2,(H,24,27)
• InChIKey: AJZZIDUTPRSWFD-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.53
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide (CID 39723703) is 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide.

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

The canonical SMILES for 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide is O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(-c2nccs2)cc1.

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

The InChIKey is AJZZIDUTPRSWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4OS2/c27-20(24-17-8-6-16(7-9-17)21-23-10-11-28-21)12-18-14-29-22-25-19(13-26(18)22)15-4-2-1-3-5-15/h1-11,13-14H,12H2,(H,24,27).

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

2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide has a molecular weight of 416.53 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 39723703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).