N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide

C22H16F3N3O2S — CID 135927454

About N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide

N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135927454) has the molecular formula C22H16F3N3O2S and a molecular weight of 443.45 g/mol. Its IUPAC name is N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 135927454
• Molecular Formula: C22H16F3N3O2S
• Molecular Weight: 443.45 g/mol
• Exact Mass: 443.09
• IUPAC Name: N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide
• SMILES: O=C(C[C@H]1S/C(=N\c2ccccc2C(F)(F)F)NC1=O)Nc1ccc2ccccc2c1
• InChI: InChI=1S/C22H16F3N3O2S/c23-22(24,25)16-7-3-4-8-17(16)27-21-28-20(30)18(31-21)12-19(29)26-15-10-9-13-5-1-2-6-14(13)11-15/h1-11,18H,12H2,(H,26,29)(H,27,28,30)/t18-/m1/s1
• InChIKey: PIPPHFOSYQDFEE-GOSISDBHSA-N
• XLogP: 5.11
• TPSA: 70.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.45
LogP ≤ 5	5.11
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-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide (CID 135927454) is N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide is O=C(C[C@H]1S/C(=N\c2ccccc2C(F)(F)F)NC1=O)Nc1ccc2ccccc2c1.

What is the InChIKey of N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is PIPPHFOSYQDFEE-GOSISDBHSA-N. The full InChI is InChI=1S/C22H16F3N3O2S/c23-22(24,25)16-7-3-4-8-17(16)27-21-28-20(30)18(31-21)12-19(29)26-15-10-9-13-5-1-2-6-14(13)11-15/h1-11,18H,12H2,(H,26,29)(H,27,28,30)/t18-/m1/s1.

What are the key properties of N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide?

N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 443.45 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-2-yl-2-[(5R)-4-oxo-2-[2-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135927454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).