(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide

C26H19N3O2S — CID 56969721

IUPAC(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)/C(C#N)=c2\s/c(=C\c3ccccc3)c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C26H19N3O2S/c1-18-12-14-20(15-13-18)28-24(30)22(17-27)26-29(21-10-6-3-7-11-21)25(31)23(32-26)16-19-8-4-2-5-9-19/h2-16H,1H3,(H,28,30)/b23-16-,26-22-
InChIKeyGVQXAMLVNNAMNH-RGSHQYCDSA-N
MW437.52 g/mol
LogP3.35
Rot. Bonds4

About (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide

(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide (PubChem CID 56969721) has the molecular formula C26H19N3O2S and a molecular weight of 437.52 g/mol. Its IUPAC name is (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide
PubChem CID56969721
Molecular FormulaC26H19N3O2S
Molecular Weight437.52 g/mol
Exact Mass437.12
IUPAC Name(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)/C(C#N)=c2\s/c(=C\c3ccccc3)c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C26H19N3O2S/c1-18-12-14-20(15-13-18)28-24(30)22(17-27)26-29(21-10-6-3-7-11-21)25(31)23(32-26)16-19-8-4-2-5-9-19/h2-16H,1H3,(H,28,30)/b23-16-,26-22-
InChIKeyGVQXAMLVNNAMNH-RGSHQYCDSA-N
XLogP3.35
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide?
The IUPAC name of (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide (CID 56969721) is (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide.
What is the SMILES notation for (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide?
The canonical SMILES for (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)/C(C#N)=c2\s/c(=C\c3ccccc3)c(=O)n2-c2ccccc2)cc1.
What is the InChIKey of (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide?
The InChIKey is GVQXAMLVNNAMNH-RGSHQYCDSA-N. The full InChI is InChI=1S/C26H19N3O2S/c1-18-12-14-20(15-13-18)28-24(30)22(17-27)26-29(21-10-6-3-7-11-21)25(31)23(32-26)16-19-8-4-2-5-9-19/h2-16H,1H3,(H,28,30)/b23-16-,26-22-.
What are the key properties of (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide?
(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide has a molecular weight of 437.52 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 56969721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).