(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide

C28H18N4O6S — CID 6196713

About (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide

(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 6196713) has the molecular formula C28H18N4O6S and a molecular weight of 538.54 g/mol. Its IUPAC name is (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 6196713
• Molecular Formula: C28H18N4O6S
• Molecular Weight: 538.54 g/mol
• Exact Mass: 538.09
• IUPAC Name: (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: N#C/C(C(=O)NCc1ccco1)=c1/s/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n1-c1ccccc1
• InChI: InChI=1S/C28H18N4O6S/c29-16-23(26(33)30-17-22-7-4-14-37-22)28-31(19-5-2-1-3-6-19)27(34)25(39-28)15-21-12-13-24(38-21)18-8-10-20(11-9-18)32(35)36/h1-15H,17H2,(H,30,33)/b25-15-,28-23-
• InChIKey: KHGRAEBDTWASOC-SYVFJETJSA-N
• XLogP: 3.48
• TPSA: 144.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.54
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?

The IUPAC name of (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (CID 6196713) is (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.

What is the SMILES notation for (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?

The canonical SMILES for (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is N#C/C(C(=O)NCc1ccco1)=c1/s/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n1-c1ccccc1.

What is the InChIKey of (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?

The InChIKey is KHGRAEBDTWASOC-SYVFJETJSA-N. The full InChI is InChI=1S/C28H18N4O6S/c29-16-23(26(33)30-17-22-7-4-14-37-22)28-31(19-5-2-1-3-6-19)27(34)25(39-28)15-21-12-13-24(38-21)18-8-10-20(11-9-18)32(35)36/h1-15H,17H2,(H,30,33)/b25-15-,28-23-.

What are the key properties of (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?

(2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 538.54 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-N-(furan-2-ylmethyl)-2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 6196713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).