2-[(2E,5S)-4-oxo-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C15H12F3N5O3S2 — CID 135924867

About 2-[(2E,5S)-4-oxo-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(2E,5S)-4-oxo-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 135924867) has the molecular formula C15H12F3N5O3S2 and a molecular weight of 431.42 g/mol. Its IUPAC name is 2-[(2E,5S)-4-oxo-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2E,5S)-4-oxo-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 135924867
• Molecular Formula: C15H12F3N5O3S2
• Molecular Weight: 431.42 g/mol
• Exact Mass: 431.03
• IUPAC Name: 2-[(2E,5S)-4-oxo-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
• SMILES: O=C(C[C@@H]1S/C(=N/N=C2\CSC(=O)N2)NC1=O)Nc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C15H12F3N5O3S2/c16-15(17,18)7-2-1-3-8(4-7)19-11(24)5-9-12(25)21-13(28-9)23-22-10-6-27-14(26)20-10/h1-4,9H,5-6H2,(H,19,24)(H,20,22,26)(H,21,23,25)/t9-/m0/s1
• InChIKey: QKJZCTCLCNDBON-VIFPVBQESA-N
• XLogP: 2.39
• TPSA: 112.02 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.42
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,5S)-4-oxo-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The IUPAC name of 2-[(2E,5S)-4-oxo-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 135924867) is 2-[(2E,5S)-4-oxo-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

What is the SMILES notation for 2-[(2E,5S)-4-oxo-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The canonical SMILES for 2-[(2E,5S)-4-oxo-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(C[C@@H]1S/C(=N/N=C2\CSC(=O)N2)NC1=O)Nc1cccc(C(F)(F)F)c1.

What is the InChIKey of 2-[(2E,5S)-4-oxo-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

The InChIKey is QKJZCTCLCNDBON-VIFPVBQESA-N. The full InChI is InChI=1S/C15H12F3N5O3S2/c16-15(17,18)7-2-1-3-8(4-7)19-11(24)5-9-12(25)21-13(28-9)23-22-10-6-27-14(26)20-10/h1-4,9H,5-6H2,(H,19,24)(H,20,22,26)(H,21,23,25)/t9-/m0/s1.

What are the key properties of 2-[(2E,5S)-4-oxo-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?

2-[(2E,5S)-4-oxo-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 431.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2E,5S)-4-oxo-2-[(E)-(2-oxo-1,3-thiazolidin-4-ylidene)hydrazinylidene]-1,3-thiazolidin-5-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 135924867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).