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

C19H15FN2O3S — CID 89383451

IUPACprop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(4-fluorophenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESC=CCOC(=O)/C(C#N)=c1\sc(=C=Cc2ccc(F)cc2)c(=O)n1CC
InChIInChI=1S/C19H15FN2O3S/c1-3-11-25-19(24)15(12-21)18-22(4-2)17(23)16(26-18)10-7-13-5-8-14(20)9-6-13/h3,5-9H,1,4,11H2,2H3/b18-15-
InChIKeyQJSRGZCDYUYDMW-SDXDJHTJSA-N
MW370.41 g/mol
LogP1.57
Rot. Bonds5

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

prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(4-fluorophenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 89383451) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(4-fluorophenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameprop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(4-fluorophenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID89383451
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC Nameprop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(4-fluorophenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESC=CCOC(=O)/C(C#N)=c1\sc(=C=Cc2ccc(F)cc2)c(=O)n1CC
InChIInChI=1S/C19H15FN2O3S/c1-3-11-25-19(24)15(12-21)18-22(4-2)17(23)16(26-18)10-7-13-5-8-14(20)9-6-13/h3,5-9H,1,4,11H2,2H3/b18-15-
InChIKeyQJSRGZCDYUYDMW-SDXDJHTJSA-N
XLogP1.57
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(4-fluorophenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(4-fluorophenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 89383451) is prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(4-fluorophenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(4-fluorophenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(4-fluorophenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is C=CCOC(=O)/C(C#N)=c1\sc(=C=Cc2ccc(F)cc2)c(=O)n1CC.
What is the InChIKey of prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(4-fluorophenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is QJSRGZCDYUYDMW-SDXDJHTJSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c1-3-11-25-19(24)15(12-21)18-22(4-2)17(23)16(26-18)10-7-13-5-8-14(20)9-6-13/h3,5-9H,1,4,11H2,2H3/b18-15-.
What are the key properties of prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(4-fluorophenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(4-fluorophenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 370.41 g/mol, XLogP of 1.57, 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-[3-ethyl-5-[2-(4-fluorophenyl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 89383451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).