2-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

C22H16Cl2N4O3S — CID 135786933

About 2-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 135786933) has the molecular formula C22H16Cl2N4O3S and a molecular weight of 487.37 g/mol. Its IUPAC name is 2-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

• Compound Name: 2-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
• PubChem CID: 135786933
• Molecular Formula: C22H16Cl2N4O3S
• Molecular Weight: 487.37 g/mol
• Exact Mass: 486.03
• IUPAC Name: 2-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
• SMILES: O=C(CC1S/C(=N\N=Cc2ccc(-c3cccc(Cl)c3Cl)o2)NC1=O)Nc1ccccc1
• InChI: InChI=1S/C22H16Cl2N4O3S/c23-16-8-4-7-15(20(16)24)17-10-9-14(31-17)12-25-28-22-27-21(30)18(32-22)11-19(29)26-13-5-2-1-3-6-13/h1-10,12,18H,11H2,(H,26,29)(H,27,28,30)
• InChIKey: UNRXBJJQZQIXBZ-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 96.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.37
LogP ≤ 5	5.20
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 2-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?

The IUPAC name of 2-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 135786933) is 2-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide.

What is the SMILES notation for 2-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?

The canonical SMILES for 2-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is O=C(CC1S/C(=N\N=Cc2ccc(-c3cccc(Cl)c3Cl)o2)NC1=O)Nc1ccccc1.

What is the InChIKey of 2-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?

The InChIKey is UNRXBJJQZQIXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O3S/c23-16-8-4-7-15(20(16)24)17-10-9-14(31-17)12-25-28-22-27-21(30)18(32-22)11-19(29)26-13-5-2-1-3-6-13/h1-10,12,18H,11H2,(H,26,29)(H,27,28,30).

What are the key properties of 2-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide?

2-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 487.37 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2Z)-2-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 135786933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).