5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C25H25N3O5S — CID 10127979

IUPAC5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(Oc2ccnc(N(C)CCOc3ccc(CC4SC(=O)NC4=O)cc3)c2)cc1
InChIInChI=1S/C25H25N3O5S/c1-28(23-16-21(11-12-26-23)33-20-9-7-18(31-2)8-10-20)13-14-32-19-5-3-17(4-6-19)15-22-24(29)27-25(30)34-22/h3-12,16,22H,13-15H2,1-2H3,(H,27,29,30)
InChIKeyBIFSXHNPLUXSLD-UHFFFAOYSA-N
MW479.56 g/mol
LogP4.29
Rot. Bonds10

About 5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10127979) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is 5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10127979
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC Name5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(Oc2ccnc(N(C)CCOc3ccc(CC4SC(=O)NC4=O)cc3)c2)cc1
InChIInChI=1S/C25H25N3O5S/c1-28(23-16-21(11-12-26-23)33-20-9-7-18(31-2)8-10-20)13-14-32-19-5-3-17(4-6-19)15-22-24(29)27-25(30)34-22/h3-12,16,22H,13-15H2,1-2H3,(H,27,29,30)
InChIKeyBIFSXHNPLUXSLD-UHFFFAOYSA-N
XLogP4.29
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-[[4-[2-[methyl-(4-phenylsulfanyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10217227
5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10173955
5-[[4-[2-[methyl-(6-phenoxypyrimidin-4-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10310499
(5Z)-5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10288785
(E)-but-2-enedioic acid;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 6537720
5-[[4-[2-[methyl-(6-phenylsulfanylpyrimidin-4-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10238667
CID 171990495
CID 171990495
but-2-enedioic acid;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;propanedioic acid
CID 173120010
5-[[4-[2-[1H-indol-2-yl(methyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 141260486
(5R)-5-[[4-[2-[methyl-(5-phenylmethoxy-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 95162135
5-[[4-[2-[[6-(4-methoxyphenoxy)pyrimidin-4-yl]-methylamino]ethoxy]cyclohexa-1,3-dien-1-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 163469821
but-2-enedioic acid;2,3-dihydroxybutanedioic acid;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 173164688

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 10127979) is 5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is COc1ccc(Oc2ccnc(N(C)CCOc3ccc(CC4SC(=O)NC4=O)cc3)c2)cc1.
What is the InChIKey of 5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is BIFSXHNPLUXSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-28(23-16-21(11-12-26-23)33-20-9-7-18(31-2)8-10-20)13-14-32-19-5-3-17(4-6-19)15-22-24(29)27-25(30)34-22/h3-12,16,22H,13-15H2,1-2H3,(H,27,29,30).
What are the key properties of 5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 479.56 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10127979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).