N-(4-chlorophenyl)-2-[(2Z)-4-oxo-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

C23H16ClF3N4O3S — CID 135575297

About N-(4-chlorophenyl)-2-[(2Z)-4-oxo-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

N-(4-chlorophenyl)-2-[(2Z)-4-oxo-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135575297) has the molecular formula C23H16ClF3N4O3S and a molecular weight of 520.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(2Z)-4-oxo-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[(2Z)-4-oxo-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 135575297
• Molecular Formula: C23H16ClF3N4O3S
• Molecular Weight: 520.92 g/mol
• Exact Mass: 520.06
• IUPAC Name: N-(4-chlorophenyl)-2-[(2Z)-4-oxo-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
• SMILES: O=C(CC1S/C(=N\N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC1=O)Nc1ccc(Cl)cc1
• InChI: InChI=1S/C23H16ClF3N4O3S/c24-15-4-6-16(7-5-15)29-20(32)11-19-21(33)30-22(35-19)31-28-12-17-8-9-18(34-17)13-2-1-3-14(10-13)23(25,26)27/h1-10,12,19H,11H2,(H,29,32)(H,30,31,33)/b28-12+
• InChIKey: VGFLIQSECKIIBG-KVSWJAHQSA-N
• XLogP: 5.57
• TPSA: 96.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.92
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(2Z)-4-oxo-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(4-chlorophenyl)-2-[(2Z)-4-oxo-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (CID 135575297) is N-(4-chlorophenyl)-2-[(2Z)-4-oxo-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(4-chlorophenyl)-2-[(2Z)-4-oxo-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(4-chlorophenyl)-2-[(2Z)-4-oxo-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N\N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC1=O)Nc1ccc(Cl)cc1.

What is the InChIKey of N-(4-chlorophenyl)-2-[(2Z)-4-oxo-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is VGFLIQSECKIIBG-KVSWJAHQSA-N. The full InChI is InChI=1S/C23H16ClF3N4O3S/c24-15-4-6-16(7-5-15)29-20(32)11-19-21(33)30-22(35-19)31-28-12-17-8-9-18(34-17)13-2-1-3-14(10-13)23(25,26)27/h1-10,12,19H,11H2,(H,29,32)(H,30,31,33)/b28-12+.

What are the key properties of N-(4-chlorophenyl)-2-[(2Z)-4-oxo-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

N-(4-chlorophenyl)-2-[(2Z)-4-oxo-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 520.92 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[(2Z)-4-oxo-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135575297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).