(2E)-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide

C26H20N4O2S — CID 6357404

IUPAC(2E)-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
SMILESN#C/C(C(=O)NCCc1ccccc1)=c1\s/c(=C/c2ccncc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C26H20N4O2S/c27-18-22(24(31)29-16-13-19-7-3-1-4-8-19)26-30(21-9-5-2-6-10-21)25(32)23(33-26)17-20-11-14-28-15-12-20/h1-12,14-15,17H,13,16H2,(H,29,31)/b23-17+,26-22+
InChIKeyOMSNXGJALVGJLO-XNNCRMEQSA-N
MW452.54 g/mol
LogP2.16
Rot. Bonds6

About (2E)-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide

(2E)-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide (PubChem CID 6357404) has the molecular formula C26H20N4O2S and a molecular weight of 452.54 g/mol. Its IUPAC name is (2E)-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name(2E)-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
PubChem CID6357404
Molecular FormulaC26H20N4O2S
Molecular Weight452.54 g/mol
Exact Mass452.13
IUPAC Name(2E)-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
SMILESN#C/C(C(=O)NCCc1ccccc1)=c1\s/c(=C/c2ccncc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C26H20N4O2S/c27-18-22(24(31)29-16-13-19-7-3-1-4-8-19)26-30(21-9-5-2-6-10-21)25(32)23(33-26)17-20-11-14-28-15-12-20/h1-12,14-15,17H,13,16H2,(H,29,31)/b23-17+,26-22+
InChIKeyOMSNXGJALVGJLO-XNNCRMEQSA-N
XLogP2.16
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-cyano-2-methyl-6-methylsulfanyl-N-phenyl-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxamide
CID 2881454
2-[2,4-dioxo-5-(2-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 1810570
2-[2,4-dioxo-5-(4-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 1810579
2,4-Thiazolidinedione, 5-[[2-[(3R)-3-amino-1-piperidinyl]-3-(4-pyridinyl)phenyl]methylene]-, (5Z)-
CID 70696694
5-cyano-2-methyl-6-{[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl}-N-phenyl-1,4-dihydro-4,4'-bipyridine-3-carboxamide
CID 658741
3-(Anilinocarbonyl)-5-cyano-6-{[2-(cyclopropylamino)-2-oxoethyl]sulfanyl}-2-methyl-1,4-dihydro-4,4'-bipyridine
CID 660138
(E)-2-cyano-3-(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)-N-phenylprop-2-enamide
CID 875562
2-cyano-3-[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]-N-phenylacrylamide
CID 875563
(Z)-4-(5-(4-methylbenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(pyridin-3-yl)butanamide
CID 1346792
3-[(5E)-5-[(4-ethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-3-ylpropanamide
CID 1371449
3-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)-N-pyridin-3-yl-propionamide
CID 1390313
2-[2,4-dioxo-5-(2-pyridinylmethylene)-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
CID 1810834

Frequently Asked Questions

What is the IUPAC name of (2E)-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide?
The IUPAC name of (2E)-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide (CID 6357404) is (2E)-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for (2E)-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide?
The canonical SMILES for (2E)-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide is N#C/C(C(=O)NCCc1ccccc1)=c1\s/c(=C/c2ccncc2)c(=O)n1-c1ccccc1.
What is the InChIKey of (2E)-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide?
The InChIKey is OMSNXGJALVGJLO-XNNCRMEQSA-N. The full InChI is InChI=1S/C26H20N4O2S/c27-18-22(24(31)29-16-13-19-7-3-1-4-8-19)26-30(21-9-5-2-6-10-21)25(32)23(33-26)17-20-11-14-28-15-12-20/h1-12,14-15,17H,13,16H2,(H,29,31)/b23-17+,26-22+.
What are the key properties of (2E)-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide?
(2E)-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide has a molecular weight of 452.54 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-cyano-2-[(5E)-4-oxo-3-phenyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 6357404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).