4-[2-(hydrazinecarbonyl)-4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]naphthalene-1-sulfonamide

C24H26F3N5O4S2 — CID 121303876

About 4-[2-(hydrazinecarbonyl)-4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]naphthalene-1-sulfonamide

4-[2-(hydrazinecarbonyl)-4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]naphthalene-1-sulfonamide (PubChem CID 121303876) has the molecular formula C24H26F3N5O4S2 and a molecular weight of 569.63 g/mol. Its IUPAC name is 4-[2-(hydrazinecarbonyl)-4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]naphthalene-1-sulfonamide.

Molecular Properties

• Compound Name: 4-[2-(hydrazinecarbonyl)-4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]naphthalene-1-sulfonamide
• PubChem CID: 121303876
• Molecular Formula: C24H26F3N5O4S2
• Molecular Weight: 569.63 g/mol
• Exact Mass: 569.14
• IUPAC Name: 4-[2-(hydrazinecarbonyl)-4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]naphthalene-1-sulfonamide
• SMILES: CC1CCN(C(=O)c2nc(C(=O)NN)sc2-c2ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)c3ccccc23)CC1
• InChI: InChI=1S/C24H26F3N5O4S2/c1-13-9-11-32(12-10-13)23(34)19-20(37-22(29-19)21(33)30-28)17-7-8-18(16-6-4-3-5-15(16)17)38(35,36)31-14(2)24(25,26)27/h3-8,13-14,31H,9-12,28H2,1-2H3,(H,30,33)/t14-/m0/s1
• InChIKey: SDKPNVZPDVVUQQ-AWEZNQCLSA-N
• XLogP: 3.67
• TPSA: 134.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.63
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydrazinecarbonyl)-4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]naphthalene-1-sulfonamide?

The IUPAC name of 4-[2-(hydrazinecarbonyl)-4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]naphthalene-1-sulfonamide (CID 121303876) is 4-[2-(hydrazinecarbonyl)-4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]naphthalene-1-sulfonamide.

What is the SMILES notation for 4-[2-(hydrazinecarbonyl)-4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]naphthalene-1-sulfonamide?

The canonical SMILES for 4-[2-(hydrazinecarbonyl)-4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]naphthalene-1-sulfonamide is CC1CCN(C(=O)c2nc(C(=O)NN)sc2-c2ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)c3ccccc23)CC1.

What is the InChIKey of 4-[2-(hydrazinecarbonyl)-4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]naphthalene-1-sulfonamide?

The InChIKey is SDKPNVZPDVVUQQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H26F3N5O4S2/c1-13-9-11-32(12-10-13)23(34)19-20(37-22(29-19)21(33)30-28)17-7-8-18(16-6-4-3-5-15(16)17)38(35,36)31-14(2)24(25,26)27/h3-8,13-14,31H,9-12,28H2,1-2H3,(H,30,33)/t14-/m0/s1.

What are the key properties of 4-[2-(hydrazinecarbonyl)-4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]naphthalene-1-sulfonamide?

4-[2-(hydrazinecarbonyl)-4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]naphthalene-1-sulfonamide has a molecular weight of 569.63 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(hydrazinecarbonyl)-4-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-5-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]naphthalene-1-sulfonamide is sourced from PubChem (CID 121303876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).