(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide

C23H20F3N3O3S — CID 18874970

IUPAC(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide
SMILESCCOc1ccc(N2C(=O)C(Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NC)cc1
InChIInChI=1S/C23H20F3N3O3S/c1-3-32-17-9-7-16(8-10-17)29-21(31)19(33-22(29)18(13-27)20(30)28-2)12-14-5-4-6-15(11-14)23(24,25)26/h4-11,19H,3,12H2,1-2H3,(H,28,30)/b22-18-
InChIKeyPJVBHIIECAQWEA-PYCFMQQDSA-N
MW475.49 g/mol
LogP4.28
Rot. Bonds6

About (2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide

(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide (PubChem CID 18874970) has the molecular formula C23H20F3N3O3S and a molecular weight of 475.49 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide
PubChem CID18874970
Molecular FormulaC23H20F3N3O3S
Molecular Weight475.49 g/mol
Exact Mass475.12
IUPAC Name(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide
SMILESCCOc1ccc(N2C(=O)C(Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NC)cc1
InChIInChI=1S/C23H20F3N3O3S/c1-3-32-17-9-7-16(8-10-17)29-21(31)19(33-22(29)18(13-27)20(30)28-2)12-14-5-4-6-15(11-14)23(24,25)26/h4-11,19H,3,12H2,1-2H3,(H,28,30)/b22-18-
InChIKeyPJVBHIIECAQWEA-PYCFMQQDSA-N
XLogP4.28
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide with MolForge

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

Launch Full Analysis

Related Compounds

(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-(2-methylphenyl)acetamide
CID 18875659
(2Z)-2-[5-[(4-chlorophenyl)methyl]-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide
CID 18874964
ethyl 4-[[2-cyano-2-[4-oxo-3-phenyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]acetyl]amino]benzoate
CID 4871592
(2Z)-2-cyano-N-(3-methylphenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]acetamide
CID 18875728
(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
CID 18875535
(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-5-[(4-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
CID 18875880
(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-5-[(2-fluorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
CID 18875534
(2Z)-2-[5-[(4-bromophenyl)methyl]-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methylphenyl)acetamide
CID 18875661
2-cyano-2-[5-[(4-ethylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-methylacetamide
CID 3699720
(2Z)-2-[5-[(3-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide
CID 18874986
(2Z)-2-cyano-2-[5-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-methylacetamide
CID 18874937
(2Z)-2-[(5S)-3-(4-chlorophenyl)-5-[(3,4-dichlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-methylacetamide
CID 1177717

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide?
The IUPAC name of (2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide (CID 18874970) is (2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide?
The canonical SMILES for (2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide is CCOc1ccc(N2C(=O)C(Cc3cccc(C(F)(F)F)c3)S/C2=C(/C#N)C(=O)NC)cc1.
What is the InChIKey of (2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide?
The InChIKey is PJVBHIIECAQWEA-PYCFMQQDSA-N. The full InChI is InChI=1S/C23H20F3N3O3S/c1-3-32-17-9-7-16(8-10-17)29-21(31)19(33-22(29)18(13-27)20(30)28-2)12-14-5-4-6-15(11-14)23(24,25)26/h4-11,19H,3,12H2,1-2H3,(H,28,30)/b22-18-.
What are the key properties of (2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide?
(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide has a molecular weight of 475.49 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-2-ylidene]-N-methylacetamide is sourced from PubChem (CID 18874970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).