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

C24H20ClNO2S — CID 87722351

IUPAC3-[4-(4-chlorophenoxy)phenyl]-2-(3-cyclopropylphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(C3CC3)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClNO2S/c25-19-6-10-21(11-7-19)28-22-12-8-20(9-13-22)26-23(27)15-29-24(26)18-3-1-2-17(14-18)16-4-5-16/h1-3,6-14,16,24H,4-5,15H2
InChIKeyHLOHJLTVGKWHMD-UHFFFAOYSA-N
MW421.95 g/mol
LogP6.79
Rot. Bonds5

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

3-[4-(4-chlorophenoxy)phenyl]-2-(3-cyclopropylphenyl)-1,3-thiazolidin-4-one (PubChem CID 87722351) has the molecular formula C24H20ClNO2S and a molecular weight of 421.95 g/mol. Its IUPAC name is 3-[4-(4-chlorophenoxy)phenyl]-2-(3-cyclopropylphenyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-(4-chlorophenoxy)phenyl]-2-(3-cyclopropylphenyl)-1,3-thiazolidin-4-one
PubChem CID87722351
Molecular FormulaC24H20ClNO2S
Molecular Weight421.95 g/mol
Exact Mass421.09
IUPAC Name3-[4-(4-chlorophenoxy)phenyl]-2-(3-cyclopropylphenyl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2cccc(C3CC3)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClNO2S/c25-19-6-10-21(11-7-19)28-22-12-8-20(9-13-22)26-23(27)15-29-24(26)18-3-1-2-17(14-18)16-4-5-16/h1-3,6-14,16,24H,4-5,15H2
InChIKeyHLOHJLTVGKWHMD-UHFFFAOYSA-N
XLogP6.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.95
LogP ≤ 56.79
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-cyclopropylphenyl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-(4-chlorophenoxy)phenyl]-2-(3-cyclopropylphenyl)-1,3-thiazolidin-4-one (CID 87722351) is 3-[4-(4-chlorophenoxy)phenyl]-2-(3-cyclopropylphenyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-(4-chlorophenoxy)phenyl]-2-(3-cyclopropylphenyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-(4-chlorophenoxy)phenyl]-2-(3-cyclopropylphenyl)-1,3-thiazolidin-4-one is O=C1CSC(c2cccc(C3CC3)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4-(4-chlorophenoxy)phenyl]-2-(3-cyclopropylphenyl)-1,3-thiazolidin-4-one?
The InChIKey is HLOHJLTVGKWHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO2S/c25-19-6-10-21(11-7-19)28-22-12-8-20(9-13-22)26-23(27)15-29-24(26)18-3-1-2-17(14-18)16-4-5-16/h1-3,6-14,16,24H,4-5,15H2.
What are the key properties of 3-[4-(4-chlorophenoxy)phenyl]-2-(3-cyclopropylphenyl)-1,3-thiazolidin-4-one?
3-[4-(4-chlorophenoxy)phenyl]-2-(3-cyclopropylphenyl)-1,3-thiazolidin-4-one has a molecular weight of 421.95 g/mol, XLogP of 6.79, 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-cyclopropylphenyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 87722351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).