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

C27H20ClNO2S — CID 87722066

IUPAC3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenylphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(-c3ccccc3)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H20ClNO2S/c28-22-9-13-24(14-10-22)31-25-15-11-23(12-16-25)29-26(30)18-32-27(29)21-8-4-7-20(17-21)19-5-2-1-3-6-19/h1-17,27H,18H2
InChIKeyYIZPABGKYCHOLO-UHFFFAOYSA-N
MW457.98 g/mol
LogP7.58
Rot. Bonds5

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

3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenylphenyl)-1,3-thiazolidin-4-one (PubChem CID 87722066) has the molecular formula C27H20ClNO2S and a molecular weight of 457.98 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenylphenyl)-1,3-thiazolidin-4-one
PubChem CID87722066
Molecular FormulaC27H20ClNO2S
Molecular Weight457.98 g/mol
Exact Mass457.09
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenylphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(-c3ccccc3)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H20ClNO2S/c28-22-9-13-24(14-10-22)31-25-15-11-23(12-16-25)29-26(30)18-32-27(29)21-8-4-7-20(17-21)19-5-2-1-3-6-19/h1-17,27H,18H2
InChIKeyYIZPABGKYCHOLO-UHFFFAOYSA-N
XLogP7.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.98
LogP ≤ 57.58
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-(3-phenylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenylphenyl)-1,3-thiazolidin-4-one (CID 87722066) is 3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenylphenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(-c3ccccc3)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is YIZPABGKYCHOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClNO2S/c28-22-9-13-24(14-10-22)31-25-15-11-23(12-16-25)29-26(30)18-32-27(29)21-8-4-7-20(17-21)19-5-2-1-3-6-19/h1-17,27H,18H2.
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenylphenyl)-1,3-thiazolidin-4-one?
3-[4-(4-chlorophenoxy)phenyl]-2-(3-phenylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 457.98 g/mol, XLogP of 7.58, 5 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-(3-phenylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 87722066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).