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

C22H18ClNO3S — CID 3584163

IUPAC3-[4-(4-chlorophenoxy)phenyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C22H18ClNO3S/c1-26-18-8-2-15(3-9-18)22-24(21(25)14-28-22)17-6-12-20(13-7-17)27-19-10-4-16(23)5-11-19/h2-13,22H,14H2,1H3
InChIKeyYGBKQGRFTFEJQN-UHFFFAOYSA-N
MW411.91 g/mol
LogP5.92
Rot. Bonds5

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

3-[4-(4-chlorophenoxy)phenyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (PubChem CID 3584163) has the molecular formula C22H18ClNO3S and a molecular weight of 411.91 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
PubChem CID3584163
Molecular FormulaC22H18ClNO3S
Molecular Weight411.91 g/mol
Exact Mass411.07
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C22H18ClNO3S/c1-26-18-8-2-15(3-9-18)22-24(21(25)14-28-22)17-6-12-20(13-7-17)27-19-10-4-16(23)5-11-19/h2-13,22H,14H2,1H3
InChIKeyYGBKQGRFTFEJQN-UHFFFAOYSA-N
XLogP5.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.91
LogP ≤ 55.92
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-methoxyphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one (CID 3584163) is 3-[4-(4-chlorophenoxy)phenyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one is COc1ccc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
The InChIKey is YGBKQGRFTFEJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3S/c1-26-18-8-2-15(3-9-18)22-24(21(25)14-28-22)17-6-12-20(13-7-17)27-19-10-4-16(23)5-11-19/h2-13,22H,14H2,1H3.
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one?
3-[4-(4-chlorophenoxy)phenyl]-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one has a molecular weight of 411.91 g/mol, XLogP of 5.92, 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-(4-methoxyphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3584163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).