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

C26H21N5O3S — CID 56970140

IUPAC(2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(N/N=C2\S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C26H21N5O3S/c1-17-8-10-18(11-9-17)28-23(32)22(16-27)26-31(20-6-4-3-5-7-20)25(33)24(35-26)30-29-19-12-14-21(34-2)15-13-19/h3-15,29H,1-2H3,(H,28,32)/b26-22-,30-24-
InChIKeyRTPJEMRUXZSPKW-IUBPNNFHSA-N
MW483.55 g/mol
LogP4.88
Rot. Bonds6

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

(2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide (PubChem CID 56970140) has the molecular formula C26H21N5O3S and a molecular weight of 483.55 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
PubChem CID56970140
Molecular FormulaC26H21N5O3S
Molecular Weight483.55 g/mol
Exact Mass483.14
IUPAC Name(2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(N/N=C2\S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C26H21N5O3S/c1-17-8-10-18(11-9-17)28-23(32)22(16-27)26-31(20-6-4-3-5-7-20)25(33)24(35-26)30-29-19-12-14-21(34-2)15-13-19/h3-15,29H,1-2H3,(H,28,32)/b26-22-,30-24-
InChIKeyRTPJEMRUXZSPKW-IUBPNNFHSA-N
XLogP4.88
TPSA106.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide with MolForge

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Related Compounds

(2Z)-2-(5-benzyl-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)-2-cyano-N-(4-methoxyphenyl)acetamide
CID 6288758
(2Z)-2-cyano-2-[3-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
CID 18875502
(2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
CID 56969722
(2Z)-N-(4-chlorophenyl)-2-cyano-2-[(5R)-5-[(4-methoxyphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 40995178
ethyl 4-[[(2Z,5R)-2-[1-cyano-2-(4-methoxyanilino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-yl]methyl]benzoate
CID 98148520
(2Z)-2-cyano-2-[3-(4-methoxyphenyl)-5-[(2-methylphenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-N-phenylacetamide
CID 18875505
(2E)-2-cyano-2-[5-[(4-ethylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
CID 6914825
(2Z)-2-cyano-N-(4-methoxyphenyl)-2-(4-oxo-1,3-dithiolan-2-ylidene)acetamide
CID 11673932
(2Z)-2-cyano-2-[3-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
CID 18875869
(2Z)-2-cyano-2-[(5R)-5-[(3-methoxyphenyl)methyl]-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
CID 41078790
(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]-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyano-N-(3-methylphenyl)acetamide
CID 18875744

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide?
The IUPAC name of (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide (CID 56970140) is (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide?
The canonical SMILES for (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide is COc1ccc(N/N=C2\S/C(=C(/C#N)C(=O)Nc3ccc(C)cc3)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide?
The InChIKey is RTPJEMRUXZSPKW-IUBPNNFHSA-N. The full InChI is InChI=1S/C26H21N5O3S/c1-17-8-10-18(11-9-17)28-23(32)22(16-27)26-31(20-6-4-3-5-7-20)25(33)24(35-26)30-29-19-12-14-21(34-2)15-13-19/h3-15,29H,1-2H3,(H,28,32)/b26-22-,30-24-.
What are the key properties of (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide?
(2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide has a molecular weight of 483.55 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 56970140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).