2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile

C20H10N4OS — CID 8652961

IUPAC2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1s/c(=C\c2ccc(C#N)cc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C20H10N4OS/c21-11-15-8-6-14(7-9-15)10-18-19(25)24(17-4-2-1-3-5-17)20(26-18)16(12-22)13-23/h1-10H/b18-10-
InChIKeyPIZCDEHSWVRVQF-ZDLGFXPLSA-N
MW354.39 g/mol
LogP1.80
Rot. Bonds2

About 2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile

2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 8652961) has the molecular formula C20H10N4OS and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
PubChem CID8652961
Molecular FormulaC20H10N4OS
Molecular Weight354.39 g/mol
Exact Mass354.06
IUPAC Name2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1s/c(=C\c2ccc(C#N)cc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C20H10N4OS/c21-11-15-8-6-14(7-9-15)10-18-19(25)24(17-4-2-1-3-5-17)20(26-18)16(12-22)13-23/h1-10H/b18-10-
InChIKeyPIZCDEHSWVRVQF-ZDLGFXPLSA-N
XLogP1.80
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5E)-3-(3-chlorophenyl)-5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8653160
4-[(Z)-[(2Z)-2-(1-cyano-3,3-dimethyl-2-oxobutylidene)-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
CID 8653023
2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8652974
2-[(5E)-3-(3-chloro-2-methylphenyl)-5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8652798
2-[(5E)-5-benzylidene-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 18074846
2-[(5Z)-5-[(2-ethylpyrazol-3-yl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 99819207
2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 5197765
2-[(5Z)-5-benzylidene-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 86775998
(5Z)-2-benzhydrylidene-5-benzylidene-3-phenyl-1,3-thiazolidin-4-one
CID 102482884
2-[(5Z)-3-(3,4-dimethylphenyl)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8653517
(2Z)-2-[(5Z)-5-benzylidene-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile
CID 2021104
2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8653117

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 8652961) is 2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile is N#CC(C#N)=c1s/c(=C\c2ccc(C#N)cc2)c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
The InChIKey is PIZCDEHSWVRVQF-ZDLGFXPLSA-N. The full InChI is InChI=1S/C20H10N4OS/c21-11-15-8-6-14(7-9-15)10-18-19(25)24(17-4-2-1-3-5-17)20(26-18)16(12-22)13-23/h1-10H/b18-10-.
What are the key properties of 2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 354.39 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 8652961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).