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

C22H15ClF3NO3S — CID 87722075

IUPAC3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(OC(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H15ClF3NO3S/c23-15-4-8-17(9-5-15)29-18-10-6-16(7-11-18)27-20(28)13-31-21(27)14-2-1-3-19(12-14)30-22(24,25)26/h1-12,21H,13H2
InChIKeyMAWAIMOFYAHBNC-UHFFFAOYSA-N
MW465.88 g/mol
LogP6.81
Rot. Bonds5

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

3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one (PubChem CID 87722075) has the molecular formula C22H15ClF3NO3S and a molecular weight of 465.88 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
PubChem CID87722075
Molecular FormulaC22H15ClF3NO3S
Molecular Weight465.88 g/mol
Exact Mass465.04
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(OC(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H15ClF3NO3S/c23-15-4-8-17(9-5-15)29-18-10-6-16(7-11-18)27-20(28)13-31-21(27)14-2-1-3-19(12-14)30-22(24,25)26/h1-12,21H,13H2
InChIKeyMAWAIMOFYAHBNC-UHFFFAOYSA-N
XLogP6.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.88
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one (CID 87722075) is 3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(OC(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is MAWAIMOFYAHBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3NO3S/c23-15-4-8-17(9-5-15)29-18-10-6-16(7-11-18)27-20(28)13-31-21(27)14-2-1-3-19(12-14)30-22(24,25)26/h1-12,21H,13H2.
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 465.88 g/mol, XLogP of 6.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-chlorophenoxy)phenyl]-2-[3-(trifluoromethoxy)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 87722075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).