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

C14H9Cl2N3O2S — CID 137127383

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

2-[(Z)-[5-(3,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 137127383) has the molecular formula C14H9Cl2N3O2S and a molecular weight of 354.22 g/mol. Its IUPAC name is 2-[(Z)-[5-(3,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-[(Z)-[5-(3,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• PubChem CID: 137127383
• Molecular Formula: C14H9Cl2N3O2S
• Molecular Weight: 354.22 g/mol
• Exact Mass: 352.98
• IUPAC Name: 2-[(Z)-[5-(3,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1CSC(=N/N=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)N1
• InChI: InChI=1S/C14H9Cl2N3O2S/c15-9-3-8(4-10(16)5-9)12-2-1-11(21-12)6-17-19-14-18-13(20)7-22-14/h1-6H,7H2,(H,18,19,20)/b17-6-
• InChIKey: XDAPCNINOYKLSK-FMQZQXMHSA-N
• XLogP: 3.81
• TPSA: 66.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.22
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-[(Z)-[5-(3,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?

The IUPAC name of 2-[(Z)-[5-(3,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 137127383) is 2-[(Z)-[5-(3,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for 2-[(Z)-[5-(3,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CSC(=N/N=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)N1.

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

The InChIKey is XDAPCNINOYKLSK-FMQZQXMHSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2S/c15-9-3-8(4-10(16)5-9)12-2-1-11(21-12)6-17-19-14-18-13(20)7-22-14/h1-6H,7H2,(H,18,19,20)/b17-6-.

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

2-[(Z)-[5-(3,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 354.22 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-[5-(3,5-dichlorophenyl)furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137127383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).