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

C22H18ClNO2S — CID 25073003

IUPAC3-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C22H18ClNO2S/c1-15-3-2-4-16(13-15)22-24(21(25)14-27-22)18-7-11-20(12-8-18)26-19-9-5-17(23)6-10-19/h2-13,22H,14H2,1H3
InChIKeyPQGITHDZJLBNLC-UHFFFAOYSA-N
MW395.91 g/mol
LogP6.22
Rot. Bonds4

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

3-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one (PubChem CID 25073003) has the molecular formula C22H18ClNO2S and a molecular weight of 395.91 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one
PubChem CID25073003
Molecular FormulaC22H18ClNO2S
Molecular Weight395.91 g/mol
Exact Mass395.07
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one
SMILESCc1cccc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C22H18ClNO2S/c1-15-3-2-4-16(13-15)22-24(21(25)14-27-22)18-7-11-20(12-8-18)26-19-9-5-17(23)6-10-19/h2-13,22H,14H2,1H3
InChIKeyPQGITHDZJLBNLC-UHFFFAOYSA-N
XLogP6.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.91
LogP ≤ 56.22
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-methylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one (CID 25073003) is 3-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one is Cc1cccc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is PQGITHDZJLBNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO2S/c1-15-3-2-4-16(13-15)22-24(21(25)14-27-22)18-7-11-20(12-8-18)26-19-9-5-17(23)6-10-19/h2-13,22H,14H2,1H3.
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one?
3-[4-(4-chlorophenoxy)phenyl]-2-(3-methylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 395.91 g/mol, XLogP of 6.22, 4 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-methylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 25073003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).