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

C23H17ClN6O3S2 — CID 121038525

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

2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 121038525) has the molecular formula C23H17ClN6O3S2 and a molecular weight of 525.02 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
• PubChem CID: 121038525
• Molecular Formula: C23H17ClN6O3S2
• Molecular Weight: 525.02 g/mol
• Exact Mass: 524.05
• IUPAC Name: 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
• SMILES: O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
• InChI: InChI=1S/C23H17ClN6O3S2/c24-16-4-2-15(3-5-16)20-13-30-18(14-34-23(30)28-20)12-21(31)27-17-6-8-19(9-7-17)35(32,33)29-22-25-10-1-11-26-22/h1-11,13-14H,12H2,(H,27,31)(H,25,26,29)
• InChIKey: KLRAEICEUZCITK-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 118.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.02
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 121038525) is 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

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

The canonical SMILES for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is O=C(Cc1csc2nc(-c3ccc(Cl)cc3)cn12)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1.

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

The InChIKey is KLRAEICEUZCITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN6O3S2/c24-16-4-2-15(3-5-16)20-13-30-18(14-34-23(30)28-20)12-21(31)27-17-6-8-19(9-7-17)35(32,33)29-22-25-10-1-11-26-22/h1-11,13-14H,12H2,(H,27,31)(H,25,26,29).

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

2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 525.02 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 121038525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).