(2Z)-2-cyano-2-[5-ethyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide

C25H27N3O2S — CID 18875365

IUPAC(2Z)-2-cyano-2-[5-ethyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide
SMILESCCC1S/C(=C(/C#N)C(=O)NC(C)c2ccccc2)N(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C25H27N3O2S/c1-5-22-24(30)28(20-13-11-18(12-14-20)16(2)3)25(31-22)21(15-26)23(29)27-17(4)19-9-7-6-8-10-19/h6-14,16-17,22H,5H2,1-4H3,(H,27,29)/b25-21-
InChIKeyLKFUPPCDHYGKQP-DAFNUICNSA-N
MW433.58 g/mol
LogP5.28
Rot. Bonds6

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

(2Z)-2-cyano-2-[5-ethyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide (PubChem CID 18875365) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[5-ethyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-[5-ethyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide
PubChem CID18875365
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC Name(2Z)-2-cyano-2-[5-ethyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide
SMILESCCC1S/C(=C(/C#N)C(=O)NC(C)c2ccccc2)N(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C25H27N3O2S/c1-5-22-24(30)28(20-13-11-18(12-14-20)16(2)3)25(31-22)21(15-26)23(29)27-17(4)19-9-7-6-8-10-19/h6-14,16-17,22H,5H2,1-4H3,(H,27,29)/b25-21-
InChIKeyLKFUPPCDHYGKQP-DAFNUICNSA-N
XLogP5.28
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.28
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-(3,4-dimethylphenyl)-5-[(3,4-dimethylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide
CID 18875447
(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-[4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide
CID 18875363
(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
(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-[5-[(4-fluorophenyl)methyl]-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
CID 18875489
(2Z)-N-benzyl-2-[5-[(4-butylphenyl)methyl]-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
CID 18875028
(2E)-N-benzyl-2-[3-(4-bromophenyl)-5-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
CID 6914854
(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)-N-benzyl-2-cyano-2-[5-ethyl-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 18875044
(2E)-2-cyano-2-[5-ethyl-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
CID 6914863
(2Z)-2-cyano-N-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-4-oxo-5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazolidin-2-ylidene]acetamide
CID 18875968

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[5-ethyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide?
The IUPAC name of (2Z)-2-cyano-2-[5-ethyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide (CID 18875365) is (2Z)-2-cyano-2-[5-ethyl-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-[5-ethyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide?
The canonical SMILES for (2Z)-2-cyano-2-[5-ethyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide is CCC1S/C(=C(/C#N)C(=O)NC(C)c2ccccc2)N(c2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of (2Z)-2-cyano-2-[5-ethyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide?
The InChIKey is LKFUPPCDHYGKQP-DAFNUICNSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-5-22-24(30)28(20-13-11-18(12-14-20)16(2)3)25(31-22)21(15-26)23(29)27-17(4)19-9-7-6-8-10-19/h6-14,16-17,22H,5H2,1-4H3,(H,27,29)/b25-21-.
What are the key properties of (2Z)-2-cyano-2-[5-ethyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide?
(2Z)-2-cyano-2-[5-ethyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide has a molecular weight of 433.58 g/mol, XLogP of 5.28, 6 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-ethyl-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-ylidene]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 18875365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).