N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

C26H26FN3O2S — CID 59209028

About N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 59209028) has the molecular formula C26H26FN3O2S and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 59209028
• Molecular Formula: C26H26FN3O2S
• Molecular Weight: 463.58 g/mol
• Exact Mass: 463.17
• IUPAC Name: N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
• SMILES: C=CCCC(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3ccc(F)cc3)cs2)CC1
• InChI: InChI=1S/C26H26FN3O2S/c1-2-3-8-24(31)30-15-13-19(14-16-30)26-29-23(17-33-26)25(32)28-22-7-5-4-6-21(22)18-9-11-20(27)12-10-18/h2,4-7,9-12,17,19H,1,3,8,13-16H2,(H,28,32)
• InChIKey: DRYGURIALPMXIM-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.58
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (CID 59209028) is N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is C=CCCC(=O)N1CCC(c2nc(C(=O)Nc3ccccc3-c3ccc(F)cc3)cs2)CC1.

What is the InChIKey of N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is DRYGURIALPMXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O2S/c1-2-3-8-24(31)30-15-13-19(14-16-30)26-29-23(17-33-26)25(32)28-22-7-5-4-6-21(22)18-9-11-20(27)12-10-18/h2,4-7,9-12,17,19H,1,3,8,13-16H2,(H,28,32).

What are the key properties of N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?

N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-fluorophenyl)phenyl]-2-(1-pent-4-enoylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59209028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).