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

C20H18N2O3S — CID 58794492

IUPACprop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]acetate
SMILESC=CCOC(=O)/C(C#N)=c1\s/c(=C\C=C\c2ccccc2)c(=O)n1CC
InChIInChI=1S/C20H18N2O3S/c1-3-13-25-20(24)16(14-21)19-22(4-2)18(23)17(26-19)12-8-11-15-9-6-5-7-10-15/h3,5-12H,1,4,13H2,2H3/b11-8+,17-12-,19-16-
InChIKeySGIHNBJEERKQCZ-HNEIUCKSSA-N
MW366.44 g/mol
LogP1.83
Rot. Bonds6

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

prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 58794492) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Nameprop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]acetate
PubChem CID58794492
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Nameprop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]acetate
SMILESC=CCOC(=O)/C(C#N)=c1\s/c(=C\C=C\c2ccccc2)c(=O)n1CC
InChIInChI=1S/C20H18N2O3S/c1-3-13-25-20(24)16(14-21)19-22(4-2)18(23)17(26-19)12-8-11-15-9-6-5-7-10-15/h3,5-12H,1,4,13H2,2H3/b11-8+,17-12-,19-16-
InChIKeySGIHNBJEERKQCZ-HNEIUCKSSA-N
XLogP1.83
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-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-[(5Z)-3-ethyl-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]acetate (CID 58794492) is prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]acetate is C=CCOC(=O)/C(C#N)=c1\s/c(=C\C=C\c2ccccc2)c(=O)n1CC.
What is the InChIKey of prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is SGIHNBJEERKQCZ-HNEIUCKSSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-3-13-25-20(24)16(14-21)19-22(4-2)18(23)17(26-19)12-8-11-15-9-6-5-7-10-15/h3,5-12H,1,4,13H2,2H3/b11-8+,17-12-,19-16-.
What are the key properties of prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]acetate?
prop-2-enyl (2Z)-2-cyano-2-[(5Z)-3-ethyl-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 366.44 g/mol, XLogP of 1.83, 6 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-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 58794492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).