(2Z)-2-cyano-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide

C22H18FN3O2S — CID 8653048

About (2Z)-2-cyano-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide

(2Z)-2-cyano-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide (PubChem CID 8653048) has the molecular formula C22H18FN3O2S and a molecular weight of 407.47 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide
• PubChem CID: 8653048
• Molecular Formula: C22H18FN3O2S
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.11
• IUPAC Name: (2Z)-2-cyano-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide
• SMILES: CC(C)NC(=O)/C(C#N)=c1\s/c(=C\c2ccccc2F)c(=O)n1-c1ccccc1
• InChI: InChI=1S/C22H18FN3O2S/c1-14(2)25-20(27)17(13-24)22-26(16-9-4-3-5-10-16)21(28)19(29-22)12-15-8-6-7-11-18(15)23/h3-12,14H,1-2H3,(H,25,27)/b19-12-,22-17-
• InChIKey: BHSFESBKYPFXDZ-XBUIZVGASA-N
• XLogP: 2.07
• TPSA: 74.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide?

The IUPAC name of (2Z)-2-cyano-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide (CID 8653048) is (2Z)-2-cyano-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide.

What is the SMILES notation for (2Z)-2-cyano-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide?

The canonical SMILES for (2Z)-2-cyano-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide is CC(C)NC(=O)/C(C#N)=c1\s/c(=C\c2ccccc2F)c(=O)n1-c1ccccc1.

What is the InChIKey of (2Z)-2-cyano-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide?

The InChIKey is BHSFESBKYPFXDZ-XBUIZVGASA-N. The full InChI is InChI=1S/C22H18FN3O2S/c1-14(2)25-20(27)17(13-24)22-26(16-9-4-3-5-10-16)21(28)19(29-22)12-15-8-6-7-11-18(15)23/h3-12,14H,1-2H3,(H,25,27)/b19-12-,22-17-.

What are the key properties of (2Z)-2-cyano-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide?

(2Z)-2-cyano-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide has a molecular weight of 407.47 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-propan-2-ylacetamide is sourced from PubChem (CID 8653048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).