2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one

C28H28N2O4S2 — CID 5031264

IUPAC2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SC(C)C(=O)N2c2ccc(N3C(=O)C(C)SC3c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C28H28N2O4S2/c1-17-25(31)29(27(35-17)19-5-13-23(33-3)14-6-19)21-9-11-22(12-10-21)30-26(32)18(2)36-28(30)20-7-15-24(34-4)16-8-20/h5-18,27-28H,1-4H3
InChIKeyVHRJHVIYPYXWME-UHFFFAOYSA-N
MW520.68 g/mol
LogP6.04
Rot. Bonds6

About 2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one

2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one (PubChem CID 5031264) has the molecular formula C28H28N2O4S2 and a molecular weight of 520.68 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one
PubChem CID5031264
Molecular FormulaC28H28N2O4S2
Molecular Weight520.68 g/mol
Exact Mass520.15
IUPAC Name2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(C2SC(C)C(=O)N2c2ccc(N3C(=O)C(C)SC3c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C28H28N2O4S2/c1-17-25(31)29(27(35-17)19-5-13-23(33-3)14-6-19)21-9-11-22(12-10-21)30-26(32)18(2)36-28(30)20-7-15-24(34-4)16-8-20/h5-18,27-28H,1-4H3
InChIKeyVHRJHVIYPYXWME-UHFFFAOYSA-N
XLogP6.04
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.68
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one (CID 5031264) is 2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one is COc1ccc(C2SC(C)C(=O)N2c2ccc(N3C(=O)C(C)SC3c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one?
The InChIKey is VHRJHVIYPYXWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4S2/c1-17-25(31)29(27(35-17)19-5-13-23(33-3)14-6-19)21-9-11-22(12-10-21)30-26(32)18(2)36-28(30)20-7-15-24(34-4)16-8-20/h5-18,27-28H,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one?
2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one has a molecular weight of 520.68 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-[4-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-5-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 5031264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).