(2Z)-2-cyano-2-[5-methyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide

C22H21N3O2S — CID 18875479

IUPAC(2Z)-2-cyano-2-[5-methyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
SMILESCC1S/C(=C(/C#N)C(=O)Nc2ccccc2)N(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C22H21N3O2S/c1-14(2)16-9-11-18(12-10-16)25-21(27)15(3)28-22(25)19(13-23)20(26)24-17-7-5-4-6-8-17/h4-12,14-15H,1-3H3,(H,24,26)/b22-19-
InChIKeyUEDLGNFLZUDVCQ-QOCHGBHMSA-N
MW391.50 g/mol
LogP4.65
Rot. Bonds4

About (2Z)-2-cyano-2-[5-methyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide

(2Z)-2-cyano-2-[5-methyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide (PubChem CID 18875479) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[5-methyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-[5-methyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
PubChem CID18875479
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name(2Z)-2-cyano-2-[5-methyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
SMILESCC1S/C(=C(/C#N)C(=O)Nc2ccccc2)N(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C22H21N3O2S/c1-14(2)16-9-11-18(12-10-16)25-21(27)15(3)28-22(25)19(13-23)20(26)24-17-7-5-4-6-8-17/h4-12,14-15H,1-3H3,(H,24,26)/b22-19-
InChIKeyUEDLGNFLZUDVCQ-QOCHGBHMSA-N
XLogP4.65
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.65
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-[3-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
CID 18875502
(2Z)-2-cyano-2-[5-[(4-fluorophenyl)methyl]-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
CID 18875489
(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-[5-[(3-chlorophenyl)methyl]-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
CID 18875491
(2Z)-2-cyano-2-[5-[(2-fluorophenyl)methyl]-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(3-methylphenyl)acetamide
CID 18875718
(2Z)-2-cyano-2-[5-ethyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide
CID 18875365
(2Z)-2-[(5S)-5-benzyl-3-(4-bromophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
CID 41271949
(2Z)-2-cyano-N-(2-methylphenyl)-2-[5-[(4-methylphenyl)methyl]-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]acetamide
CID 18875599
(2Z)-2-[5-[(4-bromophenyl)methyl]-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
CID 6138109
(2Z)-2-[5-benzyl-3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
CID 18875527
(2Z)-2-[(5R)-5-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
CID 41271944
(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

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[5-methyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide?
The IUPAC name of (2Z)-2-cyano-2-[5-methyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide (CID 18875479) is (2Z)-2-cyano-2-[5-methyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[5-methyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide?
The canonical SMILES for (2Z)-2-cyano-2-[5-methyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide is CC1S/C(=C(/C#N)C(=O)Nc2ccccc2)N(c2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of (2Z)-2-cyano-2-[5-methyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide?
The InChIKey is UEDLGNFLZUDVCQ-QOCHGBHMSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-14(2)16-9-11-18(12-10-16)25-21(27)15(3)28-22(25)19(13-23)20(26)24-17-7-5-4-6-8-17/h4-12,14-15H,1-3H3,(H,24,26)/b22-19-.
What are the key properties of (2Z)-2-cyano-2-[5-methyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide?
(2Z)-2-cyano-2-[5-methyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide has a molecular weight of 391.50 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[5-methyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide is sourced from PubChem (CID 18875479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).