N-[5-[2-[4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethylcarbamoylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C23H26N8O4S2 — CID 10187246

About N-[5-[2-[4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethylcarbamoylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[2-[4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethylcarbamoylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 10187246) has the molecular formula C23H26N8O4S2 and a molecular weight of 542.65 g/mol. Its IUPAC name is N-[5-[2-[4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethylcarbamoylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N-[5-[2-[4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethylcarbamoylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 10187246
• Molecular Formula: C23H26N8O4S2
• Molecular Weight: 542.65 g/mol
• Exact Mass: 542.15
• IUPAC Name: N-[5-[2-[4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethylcarbamoylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: CCc1nc2c(C)cc(C)nc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2nnc(NC(C)=O)s2)cc1
• InChI: InChI=1S/C23H26N8O4S2/c1-5-18-27-19-13(2)12-14(3)25-20(19)31(18)17-8-6-16(7-9-17)10-11-24-21(33)30-37(34,35)23-29-28-22(36-23)26-15(4)32/h6-9,12H,5,10-11H2,1-4H3,(H2,24,30,33)(H,26,28,32)
• InChIKey: GZXKKIJHJNCWNH-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 160.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.65
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethylcarbamoylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?

The IUPAC name of N-[5-[2-[4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethylcarbamoylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 10187246) is N-[5-[2-[4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethylcarbamoylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

What is the SMILES notation for N-[5-[2-[4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethylcarbamoylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?

The canonical SMILES for N-[5-[2-[4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethylcarbamoylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CCc1nc2c(C)cc(C)nc2n1-c1ccc(CCNC(=O)NS(=O)(=O)c2nnc(NC(C)=O)s2)cc1.

What is the InChIKey of N-[5-[2-[4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethylcarbamoylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?

The InChIKey is GZXKKIJHJNCWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N8O4S2/c1-5-18-27-19-13(2)12-14(3)25-20(19)31(18)17-8-6-16(7-9-17)10-11-24-21(33)30-37(34,35)23-29-28-22(36-23)26-15(4)32/h6-9,12H,5,10-11H2,1-4H3,(H2,24,30,33)(H,26,28,32).

What are the key properties of N-[5-[2-[4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethylcarbamoylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?

N-[5-[2-[4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethylcarbamoylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 542.65 g/mol, XLogP of 2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[4-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)phenyl]ethylcarbamoylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 10187246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).