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

C17H14N2O4S — CID 89390778

IUPACprop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(furan-2-yl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESC=CCOC(=O)/C(C#N)=c1\sc(=C=Cc2ccco2)c(=O)n1CC
InChIInChI=1S/C17H14N2O4S/c1-3-9-23-17(21)13(11-18)16-19(4-2)15(20)14(24-16)8-7-12-6-5-10-22-12/h3,5-7,10H,1,4,9H2,2H3/b16-13-
InChIKeyPRTDNGMYFOKNGA-SSZFMOIBSA-N
MW342.38 g/mol
LogP1.02
Rot. Bonds5

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

prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(furan-2-yl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 89390778) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(furan-2-yl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameprop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(furan-2-yl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID89390778
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Nameprop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(furan-2-yl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESC=CCOC(=O)/C(C#N)=c1\sc(=C=Cc2ccco2)c(=O)n1CC
InChIInChI=1S/C17H14N2O4S/c1-3-9-23-17(21)13(11-18)16-19(4-2)15(20)14(24-16)8-7-12-6-5-10-22-12/h3,5-7,10H,1,4,9H2,2H3/b16-13-
InChIKeyPRTDNGMYFOKNGA-SSZFMOIBSA-N
XLogP1.02
TPSA85.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(furan-2-yl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(furan-2-yl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(furan-2-yl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 89390778) is prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(furan-2-yl)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-(furan-2-yl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(furan-2-yl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is C=CCOC(=O)/C(C#N)=c1\sc(=C=Cc2ccco2)c(=O)n1CC.
What is the InChIKey of prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(furan-2-yl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is PRTDNGMYFOKNGA-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-3-9-23-17(21)13(11-18)16-19(4-2)15(20)14(24-16)8-7-12-6-5-10-22-12/h3,5-7,10H,1,4,9H2,2H3/b16-13-.
What are the key properties of prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(furan-2-yl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(furan-2-yl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 342.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2Z)-2-cyano-2-[3-ethyl-5-[2-(furan-2-yl)ethenylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 89390778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).