5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

C20H15N3O2S2 — CID 4709912

About 5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one

5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (PubChem CID 4709912) has the molecular formula C20H15N3O2S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
• PubChem CID: 4709912
• Molecular Formula: C20H15N3O2S2
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.06
• IUPAC Name: 5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one
• SMILES: C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3)o2)SC1=Nc1nccs1
• InChI: InChI=1S/C20H15N3O2S2/c1-2-11-23-18(24)17(27-20(23)22-19-21-10-12-26-19)13-15-8-9-16(25-15)14-6-4-3-5-7-14/h2-10,12-13H,1,11H2
• InChIKey: AZJZYMHCOAIMNL-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 58.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?

The IUPAC name of 5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one (CID 4709912) is 5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one.

What is the SMILES notation for 5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?

The canonical SMILES for 5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is C=CCN1C(=O)C(=Cc2ccc(-c3ccccc3)o2)SC1=Nc1nccs1.

What is the InChIKey of 5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?

The InChIKey is AZJZYMHCOAIMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S2/c1-2-11-23-18(24)17(27-20(23)22-19-21-10-12-26-19)13-15-8-9-16(25-15)14-6-4-3-5-7-14/h2-10,12-13H,1,11H2.

What are the key properties of 5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one?

5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one has a molecular weight of 393.49 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-phenylfuran-2-yl)methylidene]-3-prop-2-enyl-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4709912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).