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

C21H14FN3OS — CID 26271389

IUPAC2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCc1ccccc1/C=c1\sc(=C(C#N)C#N)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H14FN3OS/c1-14-4-2-3-5-16(14)10-19-20(26)25(21(27-19)17(11-23)12-24)13-15-6-8-18(22)9-7-15/h2-10H,13H2,1H3/b19-10-
InChIKeyHQKHBTHNIZBATG-GRSHGNNSSA-N
MW375.43 g/mol
LogP2.43
Rot. Bonds3

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

2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 26271389) has the molecular formula C21H14FN3OS and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
PubChem CID26271389
Molecular FormulaC21H14FN3OS
Molecular Weight375.43 g/mol
Exact Mass375.08
IUPAC Name2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCc1ccccc1/C=c1\sc(=C(C#N)C#N)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C21H14FN3OS/c1-14-4-2-3-5-16(14)10-19-20(26)25(21(27-19)17(11-23)12-24)13-15-6-8-18(22)9-7-15/h2-10H,13H2,1H3/b19-10-
InChIKeyHQKHBTHNIZBATG-GRSHGNNSSA-N
XLogP2.43
TPSA69.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 26271389) is 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is Cc1ccccc1/C=c1\sc(=C(C#N)C#N)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The InChIKey is HQKHBTHNIZBATG-GRSHGNNSSA-N. The full InChI is InChI=1S/C21H14FN3OS/c1-14-4-2-3-5-16(14)10-19-20(26)25(21(27-19)17(11-23)12-24)13-15-6-8-18(22)9-7-15/h2-10H,13H2,1H3/b19-10-.
What are the key properties of 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 375.43 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-3-[(4-fluorophenyl)methyl]-5-[(2-methylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 26271389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).