(2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide

C23H23N3O2S — CID 18875363

IUPAC(2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide
SMILESCC(C)c1ccc(N2C(=O)CS/C2=C(/C#N)C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O2S/c1-15(2)17-9-11-19(12-10-17)26-21(27)14-29-23(26)20(13-24)22(28)25-16(3)18-7-5-4-6-8-18/h4-12,15-16H,14H2,1-3H3,(H,25,28)/b23-20-
InChIKeyXKILBVFWIBJNNU-ATJXCDBQSA-N
MW405.52 g/mol
LogP4.50
Rot. Bonds5

About (2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide

(2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide (PubChem CID 18875363) has the molecular formula C23H23N3O2S and a molecular weight of 405.52 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide
PubChem CID18875363
Molecular FormulaC23H23N3O2S
Molecular Weight405.52 g/mol
Exact Mass405.15
IUPAC Name(2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide
SMILESCC(C)c1ccc(N2C(=O)CS/C2=C(/C#N)C(=O)NC(C)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O2S/c1-15(2)17-9-11-19(12-10-17)26-21(27)14-29-23(26)20(13-24)22(28)25-16(3)18-7-5-4-6-8-18/h4-12,15-16H,14H2,1-3H3,(H,25,28)/b23-20-
InChIKeyXKILBVFWIBJNNU-ATJXCDBQSA-N
XLogP4.50
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-cyano-2-[5-ethyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide
CID 18875365
methyl (2Z)-2-cyano-2-[4-oxo-3-(4-phenoxyphenyl)-1,3-thiazolidin-2-ylidene]acetate
CID 144675323
(2Z)-2-cyano-2-[5-methyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
CID 18875479
(2Z)-2-cyano-2-[3-(3,4-dimethylphenyl)-5-[(3,4-dimethylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide
CID 18875447
(2Z)-2-cyano-2-(4-oxo-3-propan-2-yl-1,3-thiazolidin-2-ylidene)-N-propan-2-ylacetamide
CID 145121127
(2Z)-2-cyano-2-[5-[(3,5-dichlorophenyl)methyl]-3-(3,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide
CID 18875451
2-cyano-2-(2-oxo-1-propan-2-ylindol-3-ylidene)-N-(1-phenylethyl)acetamide
CID 23969256
(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
CID 18875869
(2Z)-2-[5-benzyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide
CID 18875826
(2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
CID 18875489
(Z)-2-cyano-N-(1-phenylethyl)-3-(4-phenylpiperazin-1-yl)prop-2-enamide
CID 108840162
(2E)-2-cyano-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-2-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)acetamide
CID 139232350

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide?
The IUPAC name of (2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide (CID 18875363) is (2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide?
The canonical SMILES for (2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide is CC(C)c1ccc(N2C(=O)CS/C2=C(/C#N)C(=O)NC(C)c2ccccc2)cc1.
What is the InChIKey of (2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide?
The InChIKey is XKILBVFWIBJNNU-ATJXCDBQSA-N. The full InChI is InChI=1S/C23H23N3O2S/c1-15(2)17-9-11-19(12-10-17)26-21(27)14-29-23(26)20(13-24)22(28)25-16(3)18-7-5-4-6-8-18/h4-12,15-16H,14H2,1-3H3,(H,25,28)/b23-20-.
What are the key properties of (2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide?
(2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide has a molecular weight of 405.52 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 18875363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).