2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

C18H10FN3OS2 — CID 94626471

IUPAC2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCn1c(=C(C#N)C#N)s/c(=C/c2ccc(F)c(-c3cccs3)c2)c1=O
InChIInChI=1S/C18H10FN3OS2/c1-22-17(23)16(25-18(22)12(9-20)10-21)8-11-4-5-14(19)13(7-11)15-3-2-6-24-15/h2-8H,1H3/b16-8+
InChIKeyWMNLCPXTDDGDFI-LZYBPNLTSA-N
MW367.43 g/mol
LogP2.34
Rot. Bonds2

About 2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 94626471) has the molecular formula C18H10FN3OS2 and a molecular weight of 367.43 g/mol. Its IUPAC name is 2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
PubChem CID94626471
Molecular FormulaC18H10FN3OS2
Molecular Weight367.43 g/mol
Exact Mass367.02
IUPAC Name2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCn1c(=C(C#N)C#N)s/c(=C/c2ccc(F)c(-c3cccs3)c2)c1=O
InChIInChI=1S/C18H10FN3OS2/c1-22-17(23)16(25-18(22)12(9-20)10-21)8-11-4-5-14(19)13(7-11)15-3-2-6-24-15/h2-8H,1H3/b16-8+
InChIKeyWMNLCPXTDDGDFI-LZYBPNLTSA-N
XLogP2.34
TPSA69.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 94626471) is 2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is Cn1c(=C(C#N)C#N)s/c(=C/c2ccc(F)c(-c3cccs3)c2)c1=O.
What is the InChIKey of 2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The InChIKey is WMNLCPXTDDGDFI-LZYBPNLTSA-N. The full InChI is InChI=1S/C18H10FN3OS2/c1-22-17(23)16(25-18(22)12(9-20)10-21)8-11-4-5-14(19)13(7-11)15-3-2-6-24-15/h2-8H,1H3/b16-8+.
What are the key properties of 2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 367.43 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-5-[(4-fluoro-3-thiophen-2-ylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 94626471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).