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

C19H14FNO3S — CID 4793378

IUPAC5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)C=c2[nH]c(=O)c(=Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C19H14FNO3S/c1-24-15-8-4-13(5-9-15)16(22)11-18-21-19(23)17(25-18)10-12-2-6-14(20)7-3-12/h2-11H,1H3,(H,21,23)
InChIKeyZNWLAARLILRYAR-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.08
Rot. Bonds4

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

5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 4793378) has the molecular formula C19H14FNO3S and a molecular weight of 355.39 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID4793378
Molecular FormulaC19H14FNO3S
Molecular Weight355.39 g/mol
Exact Mass355.07
IUPAC Name5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)C=c2[nH]c(=O)c(=Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C19H14FNO3S/c1-24-15-8-4-13(5-9-15)16(22)11-18-21-19(23)17(25-18)10-12-2-6-14(20)7-3-12/h2-11H,1H3,(H,21,23)
InChIKeyZNWLAARLILRYAR-UHFFFAOYSA-N
XLogP2.08
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 4793378) is 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is COc1ccc(C(=O)C=c2[nH]c(=O)c(=Cc3ccc(F)cc3)s2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is ZNWLAARLILRYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3S/c1-24-15-8-4-13(5-9-15)16(22)11-18-21-19(23)17(25-18)10-12-2-6-14(20)7-3-12/h2-11H,1H3,(H,21,23).
What are the key properties of 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 355.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4793378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).