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

C20H15N3O3S — CID 4804076

IUPAC2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)C=c1[nH]c(=O)c(=Cc2ccc(C#N)cc2)s1
InChIInChI=1S/C20H15N3O3S/c1-26-16-5-3-2-4-15(16)22-18(24)11-19-23-20(25)17(27-19)10-13-6-8-14(12-21)9-7-13/h2-11H,1H3,(H,22,24)(H,23,25)
InChIKeyUKMJBNYTUBHOFP-UHFFFAOYSA-N
MW377.43 g/mol
LogP1.56
Rot. Bonds4

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

2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide (PubChem CID 4804076) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
PubChem CID4804076
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC Name2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)C=c1[nH]c(=O)c(=Cc2ccc(C#N)cc2)s1
InChIInChI=1S/C20H15N3O3S/c1-26-16-5-3-2-4-15(16)22-18(24)11-19-23-20(25)17(27-19)10-13-6-8-14(12-21)9-7-13/h2-11H,1H3,(H,22,24)(H,23,25)
InChIKeyUKMJBNYTUBHOFP-UHFFFAOYSA-N
XLogP1.56
TPSA94.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 98677854
(2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 8827958
N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 4849271
4-[(E)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
CID 6388830
(2Z)-2-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 8827923
(2Z)-2-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-N-(2-methoxyphenyl)acetamide
CID 6199592
2-[(4-cyanobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 8873523
(2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 22302335
(2Z,5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8832092
(2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 8827979
methyl 4-[[2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 4882547
(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 8829864

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide (CID 4804076) is 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)C=c1[nH]c(=O)c(=Cc2ccc(C#N)cc2)s1.
What is the InChIKey of 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide?
The InChIKey is UKMJBNYTUBHOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-26-16-5-3-2-4-15(16)22-18(24)11-19-23-20(25)17(27-19)10-13-6-8-14(12-21)9-7-13/h2-11H,1H3,(H,22,24)(H,23,25).
What are the key properties of 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide?
2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide has a molecular weight of 377.43 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 4804076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).