2-[2-[4-(4-methylpiperidine-1-carbonyl)-5-[4-(1,1,1-trifluoropropan-2-ylsulfamoyl)naphthalen-1-yl]-1,3-thiazole-2-carbonyl]hydrazinyl]-2-oxoacetamide

C26H27F3N6O6S2 — CID 121303706

About 2-[2-[4-(4-methylpiperidine-1-carbonyl)-5-[4-(1,1,1-trifluoropropan-2-ylsulfamoyl)naphthalen-1-yl]-1,3-thiazole-2-carbonyl]hydrazinyl]-2-oxoacetamide

2-[2-[4-(4-methylpiperidine-1-carbonyl)-5-[4-(1,1,1-trifluoropropan-2-ylsulfamoyl)naphthalen-1-yl]-1,3-thiazole-2-carbonyl]hydrazinyl]-2-oxoacetamide (PubChem CID 121303706) has the molecular formula C26H27F3N6O6S2 and a molecular weight of 640.67 g/mol. Its IUPAC name is 2-[2-[4-(4-methylpiperidine-1-carbonyl)-5-[4-(1,1,1-trifluoropropan-2-ylsulfamoyl)naphthalen-1-yl]-1,3-thiazole-2-carbonyl]hydrazinyl]-2-oxoacetamide.

Molecular Properties

• Compound Name: 2-[2-[4-(4-methylpiperidine-1-carbonyl)-5-[4-(1,1,1-trifluoropropan-2-ylsulfamoyl)naphthalen-1-yl]-1,3-thiazole-2-carbonyl]hydrazinyl]-2-oxoacetamide
• PubChem CID: 121303706
• Molecular Formula: C26H27F3N6O6S2
• Molecular Weight: 640.67 g/mol
• Exact Mass: 640.14
• IUPAC Name: 2-[2-[4-(4-methylpiperidine-1-carbonyl)-5-[4-(1,1,1-trifluoropropan-2-ylsulfamoyl)naphthalen-1-yl]-1,3-thiazole-2-carbonyl]hydrazinyl]-2-oxoacetamide
• SMILES: CC1CCN(C(=O)c2nc(C(=O)NNC(=O)C(N)=O)sc2-c2ccc(S(=O)(=O)NC(C)C(F)(F)F)c3ccccc23)CC1
• InChI: InChI=1S/C26H27F3N6O6S2/c1-13-9-11-35(12-10-13)25(39)19-20(42-24(31-19)23(38)33-32-22(37)21(30)36)17-7-8-18(16-6-4-3-5-15(16)17)43(40,41)34-14(2)26(27,28)29/h3-8,13-14,34H,9-12H2,1-2H3,(H2,30,36)(H,32,37)(H,33,38)
• InChIKey: CAIJYEHMVPPFOI-UHFFFAOYSA-N
• XLogP: 2.31
• TPSA: 180.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	640.67
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-methylpiperidine-1-carbonyl)-5-[4-(1,1,1-trifluoropropan-2-ylsulfamoyl)naphthalen-1-yl]-1,3-thiazole-2-carbonyl]hydrazinyl]-2-oxoacetamide?

The IUPAC name of 2-[2-[4-(4-methylpiperidine-1-carbonyl)-5-[4-(1,1,1-trifluoropropan-2-ylsulfamoyl)naphthalen-1-yl]-1,3-thiazole-2-carbonyl]hydrazinyl]-2-oxoacetamide (CID 121303706) is 2-[2-[4-(4-methylpiperidine-1-carbonyl)-5-[4-(1,1,1-trifluoropropan-2-ylsulfamoyl)naphthalen-1-yl]-1,3-thiazole-2-carbonyl]hydrazinyl]-2-oxoacetamide.

What is the SMILES notation for 2-[2-[4-(4-methylpiperidine-1-carbonyl)-5-[4-(1,1,1-trifluoropropan-2-ylsulfamoyl)naphthalen-1-yl]-1,3-thiazole-2-carbonyl]hydrazinyl]-2-oxoacetamide?

The canonical SMILES for 2-[2-[4-(4-methylpiperidine-1-carbonyl)-5-[4-(1,1,1-trifluoropropan-2-ylsulfamoyl)naphthalen-1-yl]-1,3-thiazole-2-carbonyl]hydrazinyl]-2-oxoacetamide is CC1CCN(C(=O)c2nc(C(=O)NNC(=O)C(N)=O)sc2-c2ccc(S(=O)(=O)NC(C)C(F)(F)F)c3ccccc23)CC1.

What is the InChIKey of 2-[2-[4-(4-methylpiperidine-1-carbonyl)-5-[4-(1,1,1-trifluoropropan-2-ylsulfamoyl)naphthalen-1-yl]-1,3-thiazole-2-carbonyl]hydrazinyl]-2-oxoacetamide?

The InChIKey is CAIJYEHMVPPFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N6O6S2/c1-13-9-11-35(12-10-13)25(39)19-20(42-24(31-19)23(38)33-32-22(37)21(30)36)17-7-8-18(16-6-4-3-5-15(16)17)43(40,41)34-14(2)26(27,28)29/h3-8,13-14,34H,9-12H2,1-2H3,(H2,30,36)(H,32,37)(H,33,38).

What are the key properties of 2-[2-[4-(4-methylpiperidine-1-carbonyl)-5-[4-(1,1,1-trifluoropropan-2-ylsulfamoyl)naphthalen-1-yl]-1,3-thiazole-2-carbonyl]hydrazinyl]-2-oxoacetamide?

2-[2-[4-(4-methylpiperidine-1-carbonyl)-5-[4-(1,1,1-trifluoropropan-2-ylsulfamoyl)naphthalen-1-yl]-1,3-thiazole-2-carbonyl]hydrazinyl]-2-oxoacetamide has a molecular weight of 640.67 g/mol, XLogP of 2.31, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[4-(4-methylpiperidine-1-carbonyl)-5-[4-(1,1,1-trifluoropropan-2-ylsulfamoyl)naphthalen-1-yl]-1,3-thiazole-2-carbonyl]hydrazinyl]-2-oxoacetamide is sourced from PubChem (CID 121303706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).