2-(2,4-dichlorophenyl)imino-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one

C16H10Cl2N2O2S — CID 135399272

About 2-(2,4-dichlorophenyl)imino-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one

2-(2,4-dichlorophenyl)imino-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one (PubChem CID 135399272) has the molecular formula C16H10Cl2N2O2S and a molecular weight of 365.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)imino-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-(2,4-dichlorophenyl)imino-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
• PubChem CID: 135399272
• Molecular Formula: C16H10Cl2N2O2S
• Molecular Weight: 365.24 g/mol
• Exact Mass: 363.98
• IUPAC Name: 2-(2,4-dichlorophenyl)imino-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1N/C(=N\c2ccc(Cl)cc2Cl)SC1=CC=Cc1ccco1
• InChI: InChI=1S/C16H10Cl2N2O2S/c17-10-6-7-13(12(18)9-10)19-16-20-15(21)14(23-16)5-1-3-11-4-2-8-22-11/h1-9H,(H,19,20,21)
• InChIKey: IVQNFYONIXWLCZ-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 54.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	365.24
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)imino-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one?

The IUPAC name of 2-(2,4-dichlorophenyl)imino-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one (CID 135399272) is 2-(2,4-dichlorophenyl)imino-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for 2-(2,4-dichlorophenyl)imino-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc(Cl)cc2Cl)SC1=CC=Cc1ccco1.

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

The InChIKey is IVQNFYONIXWLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2S/c17-10-6-7-13(12(18)9-10)19-16-20-15(21)14(23-16)5-1-3-11-4-2-8-22-11/h1-9H,(H,19,20,21).

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

2-(2,4-dichlorophenyl)imino-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one has a molecular weight of 365.24 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dichlorophenyl)imino-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135399272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).