5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione

C19H16N2O3S2 — CID 158257308

About 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione

5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione (PubChem CID 158257308) has the molecular formula C19H16N2O3S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
• PubChem CID: 158257308
• Molecular Formula: C19H16N2O3S2
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.06
• IUPAC Name: 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
• SMILES: CC(C)N1C(=O)SC(=Cc2ccc(SC3=Nc4ccccc4C3)o2)C1=O
• InChI: InChI=1S/C19H16N2O3S2/c1-11(2)21-18(22)15(25-19(21)23)10-13-7-8-17(24-13)26-16-9-12-5-3-4-6-14(12)20-16/h3-8,10-11H,9H2,1-2H3
• InChIKey: SJLJZMPUQOZLCE-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 62.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?

The IUPAC name of 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione (CID 158257308) is 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?

The canonical SMILES for 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione is CC(C)N1C(=O)SC(=Cc2ccc(SC3=Nc4ccccc4C3)o2)C1=O.

What is the InChIKey of 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?

The InChIKey is SJLJZMPUQOZLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S2/c1-11(2)21-18(22)15(25-19(21)23)10-13-7-8-17(24-13)26-16-9-12-5-3-4-6-14(12)20-16/h3-8,10-11H,9H2,1-2H3.

What are the key properties of 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione?

5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione has a molecular weight of 384.48 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 158257308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).