N'-(benzenesulfonyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide

C24H25N5O4S3 — CID 3695795

About N'-(benzenesulfonyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide

N'-(benzenesulfonyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide (PubChem CID 3695795) has the molecular formula C24H25N5O4S3 and a molecular weight of 543.70 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide.

Molecular Properties

• Compound Name: N'-(benzenesulfonyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
• PubChem CID: 3695795
• Molecular Formula: C24H25N5O4S3
• Molecular Weight: 543.70 g/mol
• Exact Mass: 543.11
• IUPAC Name: N'-(benzenesulfonyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
• SMILES: C=CCSc1ncccc1C(=O)N1CCC(c2nc(C(=O)NNS(=O)(=O)c3ccccc3)cs2)CC1
• InChI: InChI=1S/C24H25N5O4S3/c1-2-15-34-23-19(9-6-12-25-23)24(31)29-13-10-17(11-14-29)22-26-20(16-35-22)21(30)27-28-36(32,33)18-7-4-3-5-8-18/h2-9,12,16-17,28H,1,10-11,13-15H2,(H,27,30)
• InChIKey: OOLCBJDDGFHMML-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 121.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.70
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide?

The IUPAC name of N'-(benzenesulfonyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide (CID 3695795) is N'-(benzenesulfonyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide.

What is the SMILES notation for N'-(benzenesulfonyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide?

The canonical SMILES for N'-(benzenesulfonyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide is C=CCSc1ncccc1C(=O)N1CCC(c2nc(C(=O)NNS(=O)(=O)c3ccccc3)cs2)CC1.

What is the InChIKey of N'-(benzenesulfonyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide?

The InChIKey is OOLCBJDDGFHMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S3/c1-2-15-34-23-19(9-6-12-25-23)24(31)29-13-10-17(11-14-29)22-26-20(16-35-22)21(30)27-28-36(32,33)18-7-4-3-5-8-18/h2-9,12,16-17,28H,1,10-11,13-15H2,(H,27,30).

What are the key properties of N'-(benzenesulfonyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide?

N'-(benzenesulfonyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide has a molecular weight of 543.70 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(benzenesulfonyl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 3695795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).