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

C20H13N3OS — CID 8652974

IUPAC2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCc1cccc(/C=c2\sc(=C(C#N)C#N)n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C20H13N3OS/c1-14-6-5-7-15(10-14)11-18-19(24)23(17-8-3-2-4-9-17)20(25-18)16(12-21)13-22/h2-11H,1H3/b18-11-
InChIKeyBAWSXWMRCZKNFW-WQRHYEAKSA-N
MW343.41 g/mol
LogP2.23
Rot. Bonds2

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

2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 8652974) has the molecular formula C20H13N3OS and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
PubChem CID8652974
Molecular FormulaC20H13N3OS
Molecular Weight343.41 g/mol
Exact Mass343.08
IUPAC Name2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCc1cccc(/C=c2\sc(=C(C#N)C#N)n(-c3ccccc3)c2=O)c1
InChIInChI=1S/C20H13N3OS/c1-14-6-5-7-15(10-14)11-18-19(24)23(17-8-3-2-4-9-17)20(25-18)16(12-21)13-22/h2-11H,1H3/b18-11-
InChIKeyBAWSXWMRCZKNFW-WQRHYEAKSA-N
XLogP2.23
TPSA69.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5Z)-3-(3-fluoro-4-methylphenyl)-5-[(3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8862169
2-[(5Z)-3-(3-chloro-2-methylphenyl)-5-[(3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8652801
2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8652961
2-[(5E)-5-benzylidene-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 18074846
(2E)-2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-phenylpropanenitrile
CID 2401731
2-[(5Z)-3-(2,5-dimethylphenyl)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8652910
2-[(5Z)-3-(3-chlorophenyl)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8653182
2-[(5E)-3-(3-chlorophenyl)-5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8653160
2-[5-[(3,4-dichlorophenyl)methylidene]-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 3546432
2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 2479579
2-[(5E)-5-[(3,4-difluorophenyl)methylidene]-3-(3-ethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8863140
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-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 8652974) is 2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile is Cc1cccc(/C=c2\sc(=C(C#N)C#N)n(-c3ccccc3)c2=O)c1.
What is the InChIKey of 2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
The InChIKey is BAWSXWMRCZKNFW-WQRHYEAKSA-N. The full InChI is InChI=1S/C20H13N3OS/c1-14-6-5-7-15(10-14)11-18-19(24)23(17-8-3-2-4-9-17)20(25-18)16(12-21)13-22/h2-11H,1H3/b18-11-.
What are the key properties of 2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 343.41 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 8652974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).