6-[2-(benzenesulfonyl)piperazin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

C26H25N5O3S2 — CID 87508351

About 6-[2-(benzenesulfonyl)piperazin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide

6-[2-(benzenesulfonyl)piperazin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 87508351) has the molecular formula C26H25N5O3S2 and a molecular weight of 519.65 g/mol. Its IUPAC name is 6-[2-(benzenesulfonyl)piperazin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-(benzenesulfonyl)piperazin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
• PubChem CID: 87508351
• Molecular Formula: C26H25N5O3S2
• Molecular Weight: 519.65 g/mol
• Exact Mass: 519.14
• IUPAC Name: 6-[2-(benzenesulfonyl)piperazin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
• SMILES: Cc1sc(NC(=O)c2ccc(N3CCNCC3S(=O)(=O)c3ccccc3)nc2)nc1-c1ccccc1
• InChI: InChI=1S/C26H25N5O3S2/c1-18-24(19-8-4-2-5-9-19)29-26(35-18)30-25(32)20-12-13-22(28-16-20)31-15-14-27-17-23(31)36(33,34)21-10-6-3-7-11-21/h2-13,16,23,27H,14-15,17H2,1H3,(H,29,30,32)
• InChIKey: OZQAWCLWGNIGJF-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.65
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[2-(benzenesulfonyl)piperazin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?

The IUPAC name of 6-[2-(benzenesulfonyl)piperazin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 87508351) is 6-[2-(benzenesulfonyl)piperazin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[2-(benzenesulfonyl)piperazin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?

The canonical SMILES for 6-[2-(benzenesulfonyl)piperazin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is Cc1sc(NC(=O)c2ccc(N3CCNCC3S(=O)(=O)c3ccccc3)nc2)nc1-c1ccccc1.

What is the InChIKey of 6-[2-(benzenesulfonyl)piperazin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?

The InChIKey is OZQAWCLWGNIGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3S2/c1-18-24(19-8-4-2-5-9-19)29-26(35-18)30-25(32)20-12-13-22(28-16-20)31-15-14-27-17-23(31)36(33,34)21-10-6-3-7-11-21/h2-13,16,23,27H,14-15,17H2,1H3,(H,29,30,32).

What are the key properties of 6-[2-(benzenesulfonyl)piperazin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?

6-[2-(benzenesulfonyl)piperazin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 519.65 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(benzenesulfonyl)piperazin-1-yl]-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 87508351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).