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

C14H9N3O2S — CID 53242508

IUPAC2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCOc1ccc(/C=c2\sc(=C(C#N)C#N)[nH]c2=O)cc1
InChIInChI=1S/C14H9N3O2S/c1-19-11-4-2-9(3-5-11)6-12-13(18)17-14(20-12)10(7-15)8-16/h2-6H,1H3,(H,17,18)/b12-6-
InChIKeyKAWMASHHKZOWQU-SDQBBNPISA-N
MW283.31 g/mol
LogP0.47
Rot. Bonds2

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

2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 53242508) has the molecular formula C14H9N3O2S and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
PubChem CID53242508
Molecular FormulaC14H9N3O2S
Molecular Weight283.31 g/mol
Exact Mass283.04
IUPAC Name2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCOc1ccc(/C=c2\sc(=C(C#N)C#N)[nH]c2=O)cc1
InChIInChI=1S/C14H9N3O2S/c1-19-11-4-2-9(3-5-11)6-12-13(18)17-14(20-12)10(7-15)8-16/h2-6H,1H3,(H,17,18)/b12-6-
InChIKeyKAWMASHHKZOWQU-SDQBBNPISA-N
XLogP0.47
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4793378
4-[(Z)-[(2Z)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 98392894
(2Z,5Z)-5-[(4-methoxyphenyl)methylidene]-2-[2-(2-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8832075
(2Z)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
CID 6389539
(2Z)-2-(1H-benzimidazol-2-yl)-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetonitrile
CID 6270515
(2E,5E)-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-5-(naphthalen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 8829864
2-[(5Z)-5-benzylidene-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 86775998
5-[(2,6-dichlorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4851772
4-[(E)-[(2E)-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzonitrile
CID 6388830
(2Z,5E)-5-benzylidene-2-[2-(3-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 22302335
2-[(4-methoxyphenyl)methylidene]propanedinitrile
CID 2063
(2Z,5Z)-5-[(3,5-dimethoxyphenyl)methylidene]-2-[2-(3,5-dimethoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 6213444

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 53242508) is 2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is COc1ccc(/C=c2\sc(=C(C#N)C#N)[nH]c2=O)cc1.
What is the InChIKey of 2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The InChIKey is KAWMASHHKZOWQU-SDQBBNPISA-N. The full InChI is InChI=1S/C14H9N3O2S/c1-19-11-4-2-9(3-5-11)6-12-13(18)17-14(20-12)10(7-15)8-16/h2-6H,1H3,(H,17,18)/b12-6-.
What are the key properties of 2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 283.31 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 53242508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).