(2Z)-2-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(4-propylphenyl)propanenitrile

C28H19Cl2FN2O2S — CID 6160883

IUPAC(2Z)-2-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(4-propylphenyl)propanenitrile
SMILESCCCc1ccc(C(=O)/C(C#N)=c2\s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H19Cl2FN2O2S/c1-2-3-17-4-6-18(7-5-17)26(34)23(16-32)28-33(22-12-10-21(31)11-13-22)27(35)25(36-28)14-19-8-9-20(29)15-24(19)30/h4-15H,2-3H2,1H3/b25-14+,28-23-
InChIKeyLTZJUJWJVOYUHK-PJXZLAKUSA-N
MW537.44 g/mol
LogP5.68
Rot. Bonds6

About (2Z)-2-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(4-propylphenyl)propanenitrile

(2Z)-2-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(4-propylphenyl)propanenitrile (PubChem CID 6160883) has the molecular formula C28H19Cl2FN2O2S and a molecular weight of 537.44 g/mol. Its IUPAC name is (2Z)-2-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(4-propylphenyl)propanenitrile.

Molecular Properties

Compound Name(2Z)-2-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(4-propylphenyl)propanenitrile
PubChem CID6160883
Molecular FormulaC28H19Cl2FN2O2S
Molecular Weight537.44 g/mol
Exact Mass536.05
IUPAC Name(2Z)-2-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(4-propylphenyl)propanenitrile
SMILESCCCc1ccc(C(=O)/C(C#N)=c2\s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C28H19Cl2FN2O2S/c1-2-3-17-4-6-18(7-5-17)26(34)23(16-32)28-33(22-12-10-21(31)11-13-22)27(35)25(36-28)14-19-8-9-20(29)15-24(19)30/h4-15H,2-3H2,1H3/b25-14+,28-23-
InChIKeyLTZJUJWJVOYUHK-PJXZLAKUSA-N
XLogP5.68
TPSA62.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.44
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2Z)-2-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(4-propylphenyl)propanenitrile with MolForge

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Related Compounds

4-(2-chlorophenyl)-N-(4-chlorophenyl)-5-cyano-2-methyl-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide
CID 3120926
{5-[2-(4-Chlorophenyl)-2-oxoethyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene}-propanedinitrile
CID 139593911
(2Z)-2-cyano-2-[(5R)-5-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 1629419
(2E)-2-cyano-2-[(5R)-5-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 1629420
(2Z)-2-cyano-2-[(5S)-5-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 1629421
(2E)-2-cyano-2-[(5S)-5-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 1629422
(2Z)-N-benzyl-2-cyano-2-[(5R)-5-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 1629570
(2Z)-N-benzyl-2-cyano-2-[(5S)-5-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 1629572
(2Z)-2-cyano-2-[(5R)-5-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
CID 1629615
(2Z)-2-cyano-2-[(5S)-5-[(2,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
CID 1629617
(2Z)-2-[(5S)-5-[(3-chloro-4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)acetamide
CID 1925975
(2Z)-2-[(5R)-5-[(3-chloro-4-methylphenyl)methyl]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-(4-fluorophenyl)acetamide
CID 1925977

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(4-propylphenyl)propanenitrile?
The IUPAC name of (2Z)-2-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(4-propylphenyl)propanenitrile (CID 6160883) is (2Z)-2-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(4-propylphenyl)propanenitrile.
What is the SMILES notation for (2Z)-2-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(4-propylphenyl)propanenitrile?
The canonical SMILES for (2Z)-2-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(4-propylphenyl)propanenitrile is CCCc1ccc(C(=O)/C(C#N)=c2\s/c(=C/c3ccc(Cl)cc3Cl)c(=O)n2-c2ccc(F)cc2)cc1.
What is the InChIKey of (2Z)-2-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(4-propylphenyl)propanenitrile?
The InChIKey is LTZJUJWJVOYUHK-PJXZLAKUSA-N. The full InChI is InChI=1S/C28H19Cl2FN2O2S/c1-2-3-17-4-6-18(7-5-17)26(34)23(16-32)28-33(22-12-10-21(31)11-13-22)27(35)25(36-28)14-19-8-9-20(29)15-24(19)30/h4-15H,2-3H2,1H3/b25-14+,28-23-.
What are the key properties of (2Z)-2-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(4-propylphenyl)propanenitrile?
(2Z)-2-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(4-propylphenyl)propanenitrile has a molecular weight of 537.44 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-(4-propylphenyl)propanenitrile is sourced from PubChem (CID 6160883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).