2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methoxyphenyl)acetamide

C26H18ClN3O3S — CID 3825876

IUPAC2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccccc1
InChIInChI=1S/C26H18ClN3O3S/c1-33-22-14-8-7-13-21(22)29-24(31)19(16-28)26-30(18-10-3-2-4-11-18)25(32)23(34-26)15-17-9-5-6-12-20(17)27/h2-15H,1H3,(H,29,31)
InChIKeySMBRCAHQDKBEFR-UHFFFAOYSA-N
MW487.97 g/mol
LogP3.70
Rot. Bonds5

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

2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methoxyphenyl)acetamide (PubChem CID 3825876) has the molecular formula C26H18ClN3O3S and a molecular weight of 487.97 g/mol. Its IUPAC name is 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methoxyphenyl)acetamide
PubChem CID3825876
Molecular FormulaC26H18ClN3O3S
Molecular Weight487.97 g/mol
Exact Mass487.08
IUPAC Name2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccccc1
InChIInChI=1S/C26H18ClN3O3S/c1-33-22-14-8-7-13-21(22)29-24(31)19(16-28)26-30(18-10-3-2-4-11-18)25(32)23(34-26)15-17-9-5-6-12-20(17)27/h2-15H,1H3,(H,29,31)
InChIKeySMBRCAHQDKBEFR-UHFFFAOYSA-N
XLogP3.70
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.97
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-cyano-2-[5-[(2-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 4296483
2-cyano-2-[5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 3832214
N-(2-chlorophenyl)-2-cyano-2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 3531048
2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
CID 3542035
(2Z)-2-cyano-N-(2-methoxyphenyl)-2-[(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 2068629
N-(2-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 4209516
methyl 4-[[2-[1-cyano-2-(2,4-dichloroanilino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 4676891
(2Z)-2-cyano-2-[(5E)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-methylacetamide
CID 2009079
(2Z)-2-cyano-2-[(5Z)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-methylacetamide
CID 2009080
2-cyano-2-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-fluorophenyl)acetamide
CID 3846846
(2Z)-N-(4-chlorophenyl)-2-cyano-2-[(5Z)-5-[(2-hydroxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
CID 56969931
(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-chlorophenyl)-2-cyanoacetamide
CID 56969930

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methoxyphenyl)acetamide (CID 3825876) is 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methoxyphenyl)acetamide?
The InChIKey is SMBRCAHQDKBEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClN3O3S/c1-33-22-14-8-7-13-21(22)29-24(31)19(16-28)26-30(18-10-3-2-4-11-18)25(32)23(34-26)15-17-9-5-6-12-20(17)27/h2-15H,1H3,(H,29,31).
What are the key properties of 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methoxyphenyl)acetamide?
2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methoxyphenyl)acetamide has a molecular weight of 487.97 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 3825876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).