(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one

C20H20Cl2N2O2S — CID 126221644

About (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one (PubChem CID 126221644) has the molecular formula C20H20Cl2N2O2S and a molecular weight of 423.37 g/mol. Its IUPAC name is (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
• PubChem CID: 126221644
• Molecular Formula: C20H20Cl2N2O2S
• Molecular Weight: 423.37 g/mol
• Exact Mass: 422.06
• IUPAC Name: (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one
• SMILES: CC(C)/N=C1\S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1C(C)C
• InChI: InChI=1S/C20H20Cl2N2O2S/c1-11(2)23-20-24(12(3)4)19(25)18(27-20)10-14-6-8-17(26-14)13-5-7-15(21)16(22)9-13/h5-12H,1-4H3/b18-10-,23-20-
• InChIKey: YVBISTUPMLKETD-ZGNGNRKCSA-N
• XLogP: 6.34
• TPSA: 45.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.37
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	0
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 (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one (CID 126221644) is (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one is CC(C)/N=C1\S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1C(C)C.

What is the InChIKey of (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one?

The InChIKey is YVBISTUPMLKETD-ZGNGNRKCSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2S/c1-11(2)23-20-24(12(3)4)19(25)18(27-20)10-14-6-8-17(26-14)13-5-7-15(21)16(22)9-13/h5-12H,1-4H3/b18-10-,23-20-.

What are the key properties of (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one?

(5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one has a molecular weight of 423.37 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-propan-2-yl-2-propan-2-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 126221644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).