5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide

C22H15F3N2O3S — CID 15956000

IUPAC5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
SMILESO=C(NN1C(=O)CSC1c1ccc(F)cc1)c1cc(-c2cc(F)cc(F)c2)ccc1O
InChIInChI=1S/C22H15F3N2O3S/c23-15-4-1-12(2-5-15)22-27(20(29)11-31-22)26-21(30)18-9-13(3-6-19(18)28)14-7-16(24)10-17(25)8-14/h1-10,22,28H,11H2,(H,26,30)
InChIKeyZQTKBMYVSRISSF-UHFFFAOYSA-N
MW444.43 g/mol
LogP4.40
Rot. Bonds4

About 5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide

5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide (PubChem CID 15956000) has the molecular formula C22H15F3N2O3S and a molecular weight of 444.43 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
PubChem CID15956000
Molecular FormulaC22H15F3N2O3S
Molecular Weight444.43 g/mol
Exact Mass444.08
IUPAC Name5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
SMILESO=C(NN1C(=O)CSC1c1ccc(F)cc1)c1cc(-c2cc(F)cc(F)c2)ccc1O
InChIInChI=1S/C22H15F3N2O3S/c23-15-4-1-12(2-5-15)22-27(20(29)11-31-22)26-21(30)18-9-13(3-6-19(18)28)14-7-16(24)10-17(25)8-14/h1-10,22,28H,11H2,(H,26,30)
InChIKeyZQTKBMYVSRISSF-UHFFFAOYSA-N
XLogP4.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide?
The IUPAC name of 5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide (CID 15956000) is 5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide is O=C(NN1C(=O)CSC1c1ccc(F)cc1)c1cc(-c2cc(F)cc(F)c2)ccc1O.
What is the InChIKey of 5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide?
The InChIKey is ZQTKBMYVSRISSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O3S/c23-15-4-1-12(2-5-15)22-27(20(29)11-31-22)26-21(30)18-9-13(3-6-19(18)28)14-7-16(24)10-17(25)8-14/h1-10,22,28H,11H2,(H,26,30).
What are the key properties of 5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide?
5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide has a molecular weight of 444.43 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-N-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide is sourced from PubChem (CID 15956000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).