prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C18H15FN2O3S — CID 58794465

About prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 58794465) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

• Compound Name: prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• PubChem CID: 58794465
• Molecular Formula: C18H15FN2O3S
• Molecular Weight: 358.39 g/mol
• Exact Mass: 358.08
• IUPAC Name: prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
• SMILES: C=CCOC(=O)/C(C#N)=c1\s/c(=C\c2ccc(F)cc2)c(=O)n1CC
• InChI: InChI=1S/C18H15FN2O3S/c1-3-9-24-18(23)14(11-20)17-21(4-2)16(22)15(25-17)10-12-5-7-13(19)8-6-12/h3,5-8,10H,1,4,9H2,2H3/b15-10-,17-14-
• InChIKey: IBUJCQOWGZJINR-GGXDAIGCSA-N
• XLogP: 1.30
• TPSA: 72.09 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.39
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The IUPAC name of prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 58794465) is prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

What is the SMILES notation for prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The canonical SMILES for prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is C=CCOC(=O)/C(C#N)=c1\s/c(=C\c2ccc(F)cc2)c(=O)n1CC.

What is the InChIKey of prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

The InChIKey is IBUJCQOWGZJINR-GGXDAIGCSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c1-3-9-24-18(23)14(11-20)17-21(4-2)16(22)15(25-17)10-12-5-7-13(19)8-6-12/h3,5-8,10H,1,4,9H2,2H3/b15-10-,17-14-.

What are the key properties of prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?

prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 358.39 g/mol, XLogP of 1.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-5-[(4-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 58794465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).