1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide

C26H26N6O3S2 — CID 121071634

About 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide

1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 121071634) has the molecular formula C26H26N6O3S2 and a molecular weight of 534.67 g/mol. Its IUPAC name is 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
• PubChem CID: 121071634
• Molecular Formula: C26H26N6O3S2
• Molecular Weight: 534.67 g/mol
• Exact Mass: 534.15
• IUPAC Name: 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
• SMILES: Cc1ccccc1-c1ccc(N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)nn1
• InChI: InChI=1S/C26H26N6O3S2/c1-18-4-2-3-5-22(18)23-10-11-24(30-29-23)32-15-12-19(13-16-32)25(33)28-20-6-8-21(9-7-20)37(34,35)31-26-27-14-17-36-26/h2-11,14,17,19H,12-13,15-16H2,1H3,(H,27,31)(H,28,33)
• InChIKey: GNPHLKOHNNLNAT-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 117.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.67
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?

The IUPAC name of 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 121071634) is 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide is Cc1ccccc1-c1ccc(N2CCC(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)nn1.

What is the InChIKey of 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?

The InChIKey is GNPHLKOHNNLNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3S2/c1-18-4-2-3-5-22(18)23-10-11-24(30-29-23)32-15-12-19(13-16-32)25(33)28-20-6-8-21(9-7-20)37(34,35)31-26-27-14-17-36-26/h2-11,14,17,19H,12-13,15-16H2,1H3,(H,27,31)(H,28,33).

What are the key properties of 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?

1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 534.67 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(2-methylphenyl)pyridazin-3-yl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 121071634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).