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

C22H16ClF2NO3S — CID 4591337

IUPAC3-[4-(4-chlorophenoxy)phenyl]-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(OC(F)F)cc2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16ClF2NO3S/c23-15-3-9-17(10-4-15)28-18-11-5-16(6-12-18)26-20(27)13-30-21(26)14-1-7-19(8-2-14)29-22(24)25/h1-12,21-22H,13H2
InChIKeyBOAVHHPXFKNFIO-UHFFFAOYSA-N
MW447.89 g/mol
LogP6.51
Rot. Bonds6

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

3-[4-(4-chlorophenoxy)phenyl]-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one (PubChem CID 4591337) has the molecular formula C22H16ClF2NO3S and a molecular weight of 447.89 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one
PubChem CID4591337
Molecular FormulaC22H16ClF2NO3S
Molecular Weight447.89 g/mol
Exact Mass447.05
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(OC(F)F)cc2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H16ClF2NO3S/c23-15-3-9-17(10-4-15)28-18-11-5-16(6-12-18)26-20(27)13-30-21(26)14-1-7-19(8-2-14)29-22(24)25/h1-12,21-22H,13H2
InChIKeyBOAVHHPXFKNFIO-UHFFFAOYSA-N
XLogP6.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.89
LogP ≤ 56.51
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-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one (CID 4591337) is 3-[4-(4-chlorophenoxy)phenyl]-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(OC(F)F)cc2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is BOAVHHPXFKNFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2NO3S/c23-15-3-9-17(10-4-15)28-18-11-5-16(6-12-18)26-20(27)13-30-21(26)14-1-7-19(8-2-14)29-22(24)25/h1-12,21-22H,13H2.
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one?
3-[4-(4-chlorophenoxy)phenyl]-2-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 447.89 g/mol, XLogP of 6.51, 6 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-[4-(difluoromethoxy)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4591337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).