3-[4-(4-chlorophenoxy)phenyl]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C22H15ClF3NO2S — CID 4195669

IUPAC3-[4-(4-chlorophenoxy)phenyl]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2C(F)(F)F)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H15ClF3NO2S/c23-14-5-9-16(10-6-14)29-17-11-7-15(8-12-17)27-20(28)13-30-21(27)18-3-1-2-4-19(18)22(24,25)26/h1-12,21H,13H2
InChIKeyHLOFYDGEXKTFOO-UHFFFAOYSA-N
MW449.88 g/mol
LogP6.93
Rot. Bonds4

About 3-[4-(4-chlorophenoxy)phenyl]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

3-[4-(4-chlorophenoxy)phenyl]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (PubChem CID 4195669) has the molecular formula C22H15ClF3NO2S and a molecular weight of 449.88 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
PubChem CID4195669
Molecular FormulaC22H15ClF3NO2S
Molecular Weight449.88 g/mol
Exact Mass449.05
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccccc2C(F)(F)F)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H15ClF3NO2S/c23-14-5-9-16(10-6-14)29-17-11-7-15(8-12-17)27-20(28)13-30-21(27)18-3-1-2-4-19(18)22(24,25)26/h1-12,21H,13H2
InChIKeyHLOFYDGEXKTFOO-UHFFFAOYSA-N
XLogP6.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.88
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one (CID 4195669) is 3-[4-(4-chlorophenoxy)phenyl]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccccc2C(F)(F)F)N1c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is HLOFYDGEXKTFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3NO2S/c23-14-5-9-16(10-6-14)29-17-11-7-15(8-12-17)27-20(28)13-30-21(27)18-3-1-2-4-19(18)22(24,25)26/h1-12,21H,13H2.
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one?
3-[4-(4-chlorophenoxy)phenyl]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 449.88 g/mol, XLogP of 6.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)phenyl]-2-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4195669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).