ethane;(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione

C19H18N2O3S2 — CID 162118981

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

ethane;(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 162118981) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is ethane;(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: ethane;(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
• PubChem CID: 162118981
• Molecular Formula: C19H18N2O3S2
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.08
• IUPAC Name: ethane;(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
• SMILES: CC.CN1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)o2)C1=O
• InChI: InChI=1S/C17H12N2O3S2.C2H6/c1-19-16(20)13(23-17(19)21)9-11-6-7-15(22-11)24-14-8-10-4-2-3-5-12(10)18-14;1-2/h2-7,9H,8H2,1H3;1-2H3/b13-9-
• InChIKey: ZHDRHPUPTGNANH-CHHCPSLASA-N
• XLogP: 5.35
• TPSA: 62.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	5.35
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 ethane;(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione?

The IUPAC name of ethane;(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione (CID 162118981) is ethane;(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione.

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

The canonical SMILES for ethane;(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is CC.CN1C(=O)S/C(=C\c2ccc(SC3=Nc4ccccc4C3)o2)C1=O.

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

The InChIKey is ZHDRHPUPTGNANH-CHHCPSLASA-N. The full InChI is InChI=1S/C17H12N2O3S2.C2H6/c1-19-16(20)13(23-17(19)21)9-11-6-7-15(22-11)24-14-8-10-4-2-3-5-12(10)18-14;1-2/h2-7,9H,8H2,1H3;1-2H3/b13-9-;.

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

ethane;(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 386.50 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(5Z)-5-[[5-(3H-indol-2-ylsulfanyl)furan-2-yl]methylidene]-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 162118981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).