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

C25H24ClNO2S — CID 3307764

IUPAC2-(4-tert-butylphenyl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C25H24ClNO2S/c1-25(2,3)18-6-4-17(5-7-18)24-27(23(28)16-30-24)20-10-14-22(15-11-20)29-21-12-8-19(26)9-13-21/h4-15,24H,16H2,1-3H3
InChIKeyGJXWDMMUYRBJLQ-UHFFFAOYSA-N
MW437.99 g/mol
LogP7.21
Rot. Bonds4

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

2-(4-tert-butylphenyl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one (PubChem CID 3307764) has the molecular formula C25H24ClNO2S and a molecular weight of 437.99 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one
PubChem CID3307764
Molecular FormulaC25H24ClNO2S
Molecular Weight437.99 g/mol
Exact Mass437.12
IUPAC Name2-(4-tert-butylphenyl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)cc1
InChIInChI=1S/C25H24ClNO2S/c1-25(2,3)18-6-4-17(5-7-18)24-27(23(28)16-30-24)20-10-14-22(15-11-20)29-21-12-8-19(26)9-13-21/h4-15,24H,16H2,1-3H3
InChIKeyGJXWDMMUYRBJLQ-UHFFFAOYSA-N
XLogP7.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.99
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-tert-butylphenyl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one (CID 3307764) is 2-(4-tert-butylphenyl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one is CC(C)(C)c1ccc(C2SCC(=O)N2c2ccc(Oc3ccc(Cl)cc3)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is GJXWDMMUYRBJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClNO2S/c1-25(2,3)18-6-4-17(5-7-18)24-27(23(28)16-30-24)20-10-14-22(15-11-20)29-21-12-8-19(26)9-13-21/h4-15,24H,16H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one?
2-(4-tert-butylphenyl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 437.99 g/mol, XLogP of 7.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3-[4-(4-chlorophenoxy)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3307764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).