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

C28H18FN3O4S — CID 5199296

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

2-cyano-2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide (PubChem CID 5199296) has the molecular formula C28H18FN3O4S and a molecular weight of 511.53 g/mol. Its IUPAC name is 2-cyano-2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-cyano-2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
• PubChem CID: 5199296
• Molecular Formula: C28H18FN3O4S
• Molecular Weight: 511.53 g/mol
• Exact Mass: 511.10
• IUPAC Name: 2-cyano-2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide
• SMILES: N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccc(-c3ccc(F)cc3)o2)c(=O)n1-c1ccccc1
• InChI: InChI=1S/C28H18FN3O4S/c29-19-10-8-18(9-11-19)24-13-12-21(36-24)15-25-27(34)32(20-5-2-1-3-6-20)28(37-25)23(16-30)26(33)31-17-22-7-4-14-35-22/h1-15H,17H2,(H,31,33)
• InChIKey: SKDWZGBZWJZSPB-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 101.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.53
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-cyano-2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide (CID 5199296) is 2-cyano-2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide.

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

The canonical SMILES for 2-cyano-2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide is N#CC(C(=O)NCc1ccco1)=c1sc(=Cc2ccc(-c3ccc(F)cc3)o2)c(=O)n1-c1ccccc1.

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

The InChIKey is SKDWZGBZWJZSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18FN3O4S/c29-19-10-8-18(9-11-19)24-13-12-21(36-24)15-25-27(34)32(20-5-2-1-3-6-20)28(37-25)23(16-30)26(33)31-17-22-7-4-14-35-22/h1-15H,17H2,(H,31,33).

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

2-cyano-2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 511.53 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-2-[5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 5199296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).