N-(2-fluorophenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

C27H23FN4O2S — CID 4966398

About N-(2-fluorophenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

N-(2-fluorophenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 4966398) has the molecular formula C27H23FN4O2S and a molecular weight of 486.57 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 4966398
• Molecular Formula: C27H23FN4O2S
• Molecular Weight: 486.57 g/mol
• Exact Mass: 486.15
• IUPAC Name: N-(2-fluorophenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
• SMILES: O=C(CC1S/C(=N\c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O)Nc1ccccc1F
• InChI: InChI=1S/C27H23FN4O2S/c28-21-11-5-7-13-23(21)31-25(33)16-24-26(34)32(27(35-24)30-19-8-2-1-3-9-19)15-14-18-17-29-22-12-6-4-10-20(18)22/h1-13,17,24,29H,14-16H2,(H,31,33)/b30-27-
• InChIKey: ZTSSZYJTTVJJKG-IKPAITLHSA-N
• XLogP: 5.51
• TPSA: 77.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.57
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(2-fluorophenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (CID 4966398) is N-(2-fluorophenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(2-fluorophenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(2-fluorophenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N\c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O)Nc1ccccc1F.

What is the InChIKey of N-(2-fluorophenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is ZTSSZYJTTVJJKG-IKPAITLHSA-N. The full InChI is InChI=1S/C27H23FN4O2S/c28-21-11-5-7-13-23(21)31-25(33)16-24-26(34)32(27(35-24)30-19-8-2-1-3-9-19)15-14-18-17-29-22-12-6-4-10-20(18)22/h1-13,17,24,29H,14-16H2,(H,31,33)/b30-27-.

What are the key properties of N-(2-fluorophenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?

N-(2-fluorophenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 486.57 g/mol, XLogP of 5.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 4966398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).