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

C27H20ClNO3S — CID 4220191

IUPAC3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Oc3ccccc3)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H20ClNO3S/c28-20-9-13-23(14-10-20)31-24-15-11-21(12-16-24)29-26(30)18-33-27(29)19-5-4-8-25(17-19)32-22-6-2-1-3-7-22/h1-17,27H,18H2
InChIKeyUPYCJVSPHCISGJ-UHFFFAOYSA-N
MW473.98 g/mol
LogP7.70
Rot. Bonds6

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

3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 4220191) has the molecular formula C27H20ClNO3S and a molecular weight of 473.98 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID4220191
Molecular FormulaC27H20ClNO3S
Molecular Weight473.98 g/mol
Exact Mass473.09
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(Oc3ccccc3)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H20ClNO3S/c28-20-9-13-23(14-10-20)31-24-15-11-21(12-16-24)29-26(30)18-33-27(29)19-5-4-8-25(17-19)32-22-6-2-1-3-7-22/h1-17,27H,18H2
InChIKeyUPYCJVSPHCISGJ-UHFFFAOYSA-N
XLogP7.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.98
LogP ≤ 57.70
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-phenoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one (CID 4220191) is 3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(Oc3ccccc3)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is UPYCJVSPHCISGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClNO3S/c28-20-9-13-23(14-10-20)31-24-15-11-21(12-16-24)29-26(30)18-33-27(29)19-5-4-8-25(17-19)32-22-6-2-1-3-7-22/h1-17,27H,18H2.
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one?
3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 473.98 g/mol, XLogP of 7.70, 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-(3-phenoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4220191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).