2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

C19H12FN3O2S — CID 26271598

IUPAC2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCc1ccc(/C=c2\sc(=C(C#N)C#N)n(Cc3ccc(F)cc3)c2=O)o1
InChIInChI=1S/C19H12FN3O2S/c1-12-2-7-16(25-12)8-17-18(24)23(19(26-17)14(9-21)10-22)11-13-3-5-15(20)6-4-13/h2-8H,11H2,1H3/b17-8-
InChIKeyXPOLAHSSIVZDQI-IUXPMGMMSA-N
MW365.39 g/mol
LogP2.03
Rot. Bonds3

About 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 26271598) has the molecular formula C19H12FN3O2S and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
PubChem CID26271598
Molecular FormulaC19H12FN3O2S
Molecular Weight365.39 g/mol
Exact Mass365.06
IUPAC Name2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCc1ccc(/C=c2\sc(=C(C#N)C#N)n(Cc3ccc(F)cc3)c2=O)o1
InChIInChI=1S/C19H12FN3O2S/c1-12-2-7-16(25-12)8-17-18(24)23(19(26-17)14(9-21)10-22)11-13-3-5-15(20)6-4-13/h2-8H,11H2,1H3/b17-8-
InChIKeyXPOLAHSSIVZDQI-IUXPMGMMSA-N
XLogP2.03
TPSA82.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 26271598) is 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is Cc1ccc(/C=c2\sc(=C(C#N)C#N)n(Cc3ccc(F)cc3)c2=O)o1.
What is the InChIKey of 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The InChIKey is XPOLAHSSIVZDQI-IUXPMGMMSA-N. The full InChI is InChI=1S/C19H12FN3O2S/c1-12-2-7-16(25-12)8-17-18(24)23(19(26-17)14(9-21)10-22)11-13-3-5-15(20)6-4-13/h2-8H,11H2,1H3/b17-8-.
What are the key properties of 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 365.39 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 26271598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).