2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile

C23H12ClN3O2S — CID 5197765

IUPAC2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1sc(=Cc2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1
InChIInChI=1S/C23H12ClN3O2S/c24-19-9-5-4-8-18(19)20-11-10-17(29-20)12-21-22(28)27(16-6-2-1-3-7-16)23(30-21)15(13-25)14-26/h1-12H
InChIKeyVKECNRRNYFIWIT-UHFFFAOYSA-N
MW429.89 g/mol
LogP3.84
Rot. Bonds3

About 2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile

2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 5197765) has the molecular formula C23H12ClN3O2S and a molecular weight of 429.89 g/mol. Its IUPAC name is 2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
PubChem CID5197765
Molecular FormulaC23H12ClN3O2S
Molecular Weight429.89 g/mol
Exact Mass429.03
IUPAC Name2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1sc(=Cc2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1
InChIInChI=1S/C23H12ClN3O2S/c24-19-9-5-4-8-18(19)20-11-10-17(29-20)12-21-22(28)27(16-6-2-1-3-7-16)23(30-21)15(13-25)14-26/h1-12H
InChIKeyVKECNRRNYFIWIT-UHFFFAOYSA-N
XLogP3.84
TPSA82.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.89
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 5197765) is 2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile is N#CC(C#N)=c1sc(=Cc2ccc(-c3ccccc3Cl)o2)c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
The InChIKey is VKECNRRNYFIWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12ClN3O2S/c24-19-9-5-4-8-18(19)20-11-10-17(29-20)12-21-22(28)27(16-6-2-1-3-7-16)23(30-21)15(13-25)14-26/h1-12H.
What are the key properties of 2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile?
2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 429.89 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 5197765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).