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

C25H22N6O4S2 — CID 121038392

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

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 121038392) has the molecular formula C25H22N6O4S2 and a molecular weight of 534.62 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
• PubChem CID: 121038392
• Molecular Formula: C25H22N6O4S2
• Molecular Weight: 534.62 g/mol
• Exact Mass: 534.11
• IUPAC Name: 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
• SMILES: CCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(S(=O)(=O)Nc5ncccn5)cc4)csc3n2)cc1
• InChI: InChI=1S/C25H22N6O4S2/c1-2-35-20-8-4-17(5-9-20)22-15-31-19(16-36-25(31)29-22)14-23(32)28-18-6-10-21(11-7-18)37(33,34)30-24-26-12-3-13-27-24/h3-13,15-16H,2,14H2,1H3,(H,28,32)(H,26,27,30)
• InChIKey: CULUINRJZONINO-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 127.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.62
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide (CID 121038392) is 2-[6-(4-ethoxyphenyl)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-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide?

The canonical SMILES for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is CCOc1ccc(-c2cn3c(CC(=O)Nc4ccc(S(=O)(=O)Nc5ncccn5)cc4)csc3n2)cc1.

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

The InChIKey is CULUINRJZONINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O4S2/c1-2-35-20-8-4-17(5-9-20)22-15-31-19(16-36-25(31)29-22)14-23(32)28-18-6-10-21(11-7-18)37(33,34)30-24-26-12-3-13-27-24/h3-13,15-16H,2,14H2,1H3,(H,28,32)(H,26,27,30).

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

2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 534.62 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 121038392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).