N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

C26H36FN3O5S — CID 3788057

About N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 3788057) has the molecular formula C26H36FN3O5S and a molecular weight of 521.66 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 3788057
• Molecular Formula: C26H36FN3O5S
• Molecular Weight: 521.66 g/mol
• Exact Mass: 521.24
• IUPAC Name: N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
• SMILES: COCCOCCOCC(=O)N1CCC(c2nc(C(=O)NC(C)(C)Cc3ccc(F)cc3)cs2)CC1
• InChI: InChI=1S/C26H36FN3O5S/c1-26(2,16-19-4-6-21(27)7-5-19)29-24(32)22-18-36-25(28-22)20-8-10-30(11-9-20)23(31)17-35-15-14-34-13-12-33-3/h4-7,18,20H,8-17H2,1-3H3,(H,29,32)
• InChIKey: FOAVEQIQLUKNTL-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 89.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.66
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 3788057) is N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is COCCOCCOCC(=O)N1CCC(c2nc(C(=O)NC(C)(C)Cc3ccc(F)cc3)cs2)CC1.

What is the InChIKey of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is FOAVEQIQLUKNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN3O5S/c1-26(2,16-19-4-6-21(27)7-5-19)29-24(32)22-18-36-25(28-22)20-8-10-30(11-9-20)23(31)17-35-15-14-34-13-12-33-3/h4-7,18,20H,8-17H2,1-3H3,(H,29,32).

What are the key properties of N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?

N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 521.66 g/mol, XLogP of 3.42, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3788057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).