3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one

C15H10F3NOS — CID 5129449

IUPAC3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)cc2)N1c1c(F)cccc1F
InChIInChI=1S/C15H10F3NOS/c16-10-6-4-9(5-7-10)15-19(13(20)8-21-15)14-11(17)2-1-3-12(14)18/h1-7,15H,8H2
InChIKeyYABUZPJMMHBBAF-UHFFFAOYSA-N
MW309.31 g/mol
LogP3.88
Rot. Bonds2

About 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one

3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 5129449) has the molecular formula C15H10F3NOS and a molecular weight of 309.31 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID5129449
Molecular FormulaC15H10F3NOS
Molecular Weight309.31 g/mol
Exact Mass309.04
IUPAC Name3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(F)cc2)N1c1c(F)cccc1F
InChIInChI=1S/C15H10F3NOS/c16-10-6-4-9(5-7-10)15-19(13(20)8-21-15)14-11(17)2-1-3-12(14)18/h1-7,15H,8H2
InChIKeyYABUZPJMMHBBAF-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one (CID 5129449) is 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(F)cc2)N1c1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is YABUZPJMMHBBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NOS/c16-10-6-4-9(5-7-10)15-19(13(20)8-21-15)14-11(17)2-1-3-12(14)18/h1-7,15H,8H2.
What are the key properties of 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one?
3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 309.31 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5129449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).