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

C20H8Cl2F3N3OS — CID 3449458

IUPAC2-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H8Cl2F3N3OS/c21-15-6-1-3-11(17(15)22)7-16-18(29)28(19(30-16)12(9-26)10-27)14-5-2-4-13(8-14)20(23,24)25/h1-8H
InChIKeyGPGHSVKFJVSHQU-UHFFFAOYSA-N
MW466.27 g/mol
LogP4.25
Rot. Bonds2

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

2-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 3449458) has the molecular formula C20H8Cl2F3N3OS and a molecular weight of 466.27 g/mol. Its IUPAC name is 2-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]propanedinitrile
PubChem CID3449458
Molecular FormulaC20H8Cl2F3N3OS
Molecular Weight466.27 g/mol
Exact Mass464.97
IUPAC Name2-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H8Cl2F3N3OS/c21-15-6-1-3-11(17(15)22)7-16-18(29)28(19(30-16)12(9-26)10-27)14-5-2-4-13(8-14)20(23,24)25/h1-8H
InChIKeyGPGHSVKFJVSHQU-UHFFFAOYSA-N
XLogP4.25
TPSA69.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.27
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(2,3-dichlorophenyl)methylidene]-3-(2,6-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 4282808
2-[(5E)-3-(3-chlorophenyl)-5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8653160
2-[(5Z)-3-(3-chlorophenyl)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8653182
(2Z)-2-[(5E)-5-[(4-bromophenyl)methylidene]-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 2472943
2-[5-[(3,4-dichlorophenyl)methylidene]-4-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 4599220
2-[(5Z)-5-[(3-methylphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8652974
2-[(5E)-5-[(3,4-difluorophenyl)methylidene]-3-(3-ethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8863140
(5Z)-5-[(2,3-dichlorophenyl)methylidene]-2-imino-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 16633532
2-[(5E)-5-[(2,4-difluorophenyl)methylidene]-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8863174
2-[5-[(2-chlorophenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-2-cyano-N-phenylacetamide
CID 3542035
2-[(5E)-3-(3-chloro-2-methylphenyl)-5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8652798
2-[(5E)-3-(4-methoxyphenyl)-5-[(2-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8653272

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 3449458) is 2-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]propanedinitrile is N#CC(C#N)=c1sc(=Cc2cccc(Cl)c2Cl)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]propanedinitrile?
The InChIKey is GPGHSVKFJVSHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8Cl2F3N3OS/c21-15-6-1-3-11(17(15)22)7-16-18(29)28(19(30-16)12(9-26)10-27)14-5-2-4-13(8-14)20(23,24)25/h1-8H.
What are the key properties of 2-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]propanedinitrile?
2-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 466.27 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,3-dichlorophenyl)methylidene]-4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 3449458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).