5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

C19H14FNO2S — CID 4800828

IUPAC5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1C(=O)C=c1[nH]c(=O)c(=Cc2ccc(F)cc2)s1
InChIInChI=1S/C19H14FNO2S/c1-12-4-2-3-5-15(12)16(22)11-18-21-19(23)17(24-18)10-13-6-8-14(20)9-7-13/h2-11H,1H3,(H,21,23)
InChIKeyHNURXQODWONSMF-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.38
Rot. Bonds3

About 5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 4800828) has the molecular formula C19H14FNO2S and a molecular weight of 339.39 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID4800828
Molecular FormulaC19H14FNO2S
Molecular Weight339.39 g/mol
Exact Mass339.07
IUPAC Name5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCc1ccccc1C(=O)C=c1[nH]c(=O)c(=Cc2ccc(F)cc2)s1
InChIInChI=1S/C19H14FNO2S/c1-12-4-2-3-5-15(12)16(22)11-18-21-19(23)17(24-18)10-13-6-8-14(20)9-7-13/h2-11H,1H3,(H,21,23)
InChIKeyHNURXQODWONSMF-UHFFFAOYSA-N
XLogP2.38
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 4800828) is 5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is Cc1ccccc1C(=O)C=c1[nH]c(=O)c(=Cc2ccc(F)cc2)s1.
What is the InChIKey of 5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is HNURXQODWONSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO2S/c1-12-4-2-3-5-15(12)16(22)11-18-21-19(23)17(24-18)10-13-6-8-14(20)9-7-13/h2-11H,1H3,(H,21,23).
What are the key properties of 5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 339.39 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4800828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).