(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione

C19H17Cl2NO3S — CID 126218535

About (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione

(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione (PubChem CID 126218535) has the molecular formula C19H17Cl2NO3S and a molecular weight of 410.32 g/mol. Its IUPAC name is (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione
• PubChem CID: 126218535
• Molecular Formula: C19H17Cl2NO3S
• Molecular Weight: 410.32 g/mol
• Exact Mass: 409.03
• IUPAC Name: (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione
• SMILES: CCCCCN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O
• InChI: InChI=1S/C19H17Cl2NO3S/c1-2-3-4-10-22-18(23)16(26-19(22)24)11-12-8-9-15(25-12)13-6-5-7-14(20)17(13)21/h5-9,11H,2-4,10H2,1H3/b16-11-
• InChIKey: OXWNMUIMBNGJGC-WJDWOHSUSA-N
• XLogP: 6.48
• TPSA: 50.52 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.32
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione?

The IUPAC name of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione (CID 126218535) is (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione?

The canonical SMILES for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione is CCCCCN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O.

What is the InChIKey of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione?

The InChIKey is OXWNMUIMBNGJGC-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H17Cl2NO3S/c1-2-3-4-10-22-18(23)16(26-19(22)24)11-12-8-9-15(25-12)13-6-5-7-14(20)17(13)21/h5-9,11H,2-4,10H2,1H3/b16-11-.

What are the key properties of (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione?

(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione has a molecular weight of 410.32 g/mol, XLogP of 6.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-3-pentyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126218535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).