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

C21H15ClFNO2S — CID 4127847

IUPAC3-[4-(4-chlorophenoxy)phenyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H15ClFNO2S/c22-15-4-8-18(9-5-15)26-19-10-6-17(7-11-19)24-20(25)13-27-21(24)14-2-1-3-16(23)12-14/h1-12,21H,13H2
InChIKeyWMRGFCCBTCBQKU-UHFFFAOYSA-N
MW399.87 g/mol
LogP6.05
Rot. Bonds4

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

3-[4-(4-chlorophenoxy)phenyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one (PubChem CID 4127847) has the molecular formula C21H15ClFNO2S and a molecular weight of 399.87 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one
PubChem CID4127847
Molecular FormulaC21H15ClFNO2S
Molecular Weight399.87 g/mol
Exact Mass399.05
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H15ClFNO2S/c22-15-4-8-18(9-5-15)26-19-10-6-17(7-11-19)24-20(25)13-27-21(24)14-2-1-3-16(23)12-14/h1-12,21H,13H2
InChIKeyWMRGFCCBTCBQKU-UHFFFAOYSA-N
XLogP6.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.87
LogP ≤ 56.05
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-fluorophenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one (CID 4127847) is 3-[4-(4-chlorophenoxy)phenyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
The InChIKey is WMRGFCCBTCBQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFNO2S/c22-15-4-8-18(9-5-15)26-19-10-6-17(7-11-19)24-20(25)13-27-21(24)14-2-1-3-16(23)12-14/h1-12,21H,13H2.
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one?
3-[4-(4-chlorophenoxy)phenyl]-2-(3-fluorophenyl)-1,3-thiazolidin-4-one has a molecular weight of 399.87 g/mol, XLogP of 6.05, 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-fluorophenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4127847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).