2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile

C17H7F2N3OS2 — CID 8653475

IUPAC2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1s/c(=C/c2cccs2)c(=O)n1-c1ccc(F)cc1F
InChIInChI=1S/C17H7F2N3OS2/c18-11-3-4-14(13(19)6-11)22-16(23)15(7-12-2-1-5-24-12)25-17(22)10(8-20)9-21/h1-7H/b15-7+
InChIKeyVYBFLVBDASNHLE-VIZOYTHASA-N
MW371.39 g/mol
LogP2.27
Rot. Bonds2

About 2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile

2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 8653475) has the molecular formula C17H7F2N3OS2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile
PubChem CID8653475
Molecular FormulaC17H7F2N3OS2
Molecular Weight371.39 g/mol
Exact Mass371.00
IUPAC Name2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1s/c(=C/c2cccs2)c(=O)n1-c1ccc(F)cc1F
InChIInChI=1S/C17H7F2N3OS2/c18-11-3-4-14(13(19)6-11)22-16(23)15(7-12-2-1-5-24-12)25-17(22)10(8-20)9-21/h1-7H/b15-7+
InChIKeyVYBFLVBDASNHLE-VIZOYTHASA-N
XLogP2.27
TPSA69.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5Z)-3-(2,4-difluorophenyl)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8653473
2-[(5E)-5-[(2,4-difluorophenyl)methylidene]-3-(3-fluoro-4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8863174
2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 94626471
2-[5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 91941304
(2Z)-2-[(5E)-3-methyl-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]-3-oxo-3-thiophen-2-ylpropanenitrile
CID 17454409
2-[(5E)-5-benzylidene-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 18074846
2-[(5Z)-5-benzylidene-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 86775998
2-[(5E)-3-(2-ethylphenyl)-5-[(5-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8862370
2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8653117
(2E)-2-[(5E)-5-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-(2,4-difluorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 2377442
2-[(5Z)-3-(3-fluoro-4-methylphenyl)-5-[(3-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8862169
2-[5-[(3,4-dichlorophenyl)methylidene]-4-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 4599220

Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 8653475) is 2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile is N#CC(C#N)=c1s/c(=C/c2cccs2)c(=O)n1-c1ccc(F)cc1F.
What is the InChIKey of 2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile?
The InChIKey is VYBFLVBDASNHLE-VIZOYTHASA-N. The full InChI is InChI=1S/C17H7F2N3OS2/c18-11-3-4-14(13(19)6-11)22-16(23)15(7-12-2-1-5-24-12)25-17(22)10(8-20)9-21/h1-7H/b15-7+.
What are the key properties of 2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile?
2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 371.39 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-3-(2,4-difluorophenyl)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 8653475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).