2-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]propanedinitrile

C18H14FN3O2S — CID 42914715

IUPAC2-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1s/c(=C\c2cccc(F)c2)c(=O)n1CC1CCCO1
InChIInChI=1S/C18H14FN3O2S/c19-14-4-1-3-12(7-14)8-16-17(23)22(11-15-5-2-6-24-15)18(25-16)13(9-20)10-21/h1,3-4,7-8,15H,2,5-6,11H2/b16-8-
InChIKeyBADUEUDBAODAEN-PXNMLYILSA-N
MW355.39 g/mol
LogP1.25
Rot. Bonds3

About 2-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]propanedinitrile

2-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 42914715) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]propanedinitrile
PubChem CID42914715
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC Name2-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESN#CC(C#N)=c1s/c(=C\c2cccc(F)c2)c(=O)n1CC1CCCO1
InChIInChI=1S/C18H14FN3O2S/c19-14-4-1-3-12(7-14)8-16-17(23)22(11-15-5-2-6-24-15)18(25-16)13(9-20)10-21/h1,3-4,7-8,15H,2,5-6,11H2/b16-8-
InChIKeyBADUEUDBAODAEN-PXNMLYILSA-N
XLogP1.25
TPSA78.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 42914715) is 2-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]propanedinitrile is N#CC(C#N)=c1s/c(=C\c2cccc(F)c2)c(=O)n1CC1CCCO1.
What is the InChIKey of 2-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]propanedinitrile?
The InChIKey is BADUEUDBAODAEN-PXNMLYILSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c19-14-4-1-3-12(7-14)8-16-17(23)22(11-15-5-2-6-24-15)18(25-16)13(9-20)10-21/h1,3-4,7-8,15H,2,5-6,11H2/b16-8-.
What are the key properties of 2-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]propanedinitrile?
2-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 355.39 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-3-(oxolan-2-ylmethyl)-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 42914715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).