5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C24H24N4O4S — CID 10173955

IUPAC5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(Oc2cc(N(C)CCOc3ccc(CC4SC(=O)NC4=O)cc3)ncn2)cc1
InChIInChI=1S/C24H24N4O4S/c1-16-3-7-19(8-4-16)32-22-14-21(25-15-26-22)28(2)11-12-31-18-9-5-17(6-10-18)13-20-23(29)27-24(30)33-20/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30)
InChIKeyFKWSONXCGPTLFG-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.99
Rot. Bonds9

About 5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 10173955) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is 5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID10173955
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC Name5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(Oc2cc(N(C)CCOc3ccc(CC4SC(=O)NC4=O)cc3)ncn2)cc1
InChIInChI=1S/C24H24N4O4S/c1-16-3-7-19(8-4-16)32-22-14-21(25-15-26-22)28(2)11-12-31-18-9-5-17(6-10-18)13-20-23(29)27-24(30)33-20/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30)
InChIKeyFKWSONXCGPTLFG-UHFFFAOYSA-N
XLogP3.99
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.99
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-(6-phenoxypyrimidin-4-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10310499
5-[[4-[2-[methyl-(6-phenylsulfanylpyrimidin-4-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10238667
5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10127979
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
5-[[4-[2-[methyl-(4-phenylsulfanyl-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10217227
(5R)-5-[[4-[2-[methyl-(5-phenylmethoxy-2-pyridinyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 95162135
(E)-but-2-enedioic acid;5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 6537720
CID 171990495
CID 171990495
5-[[4-[2-[1H-indol-2-yl(methyl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 141260486
(5Z)-5-[[4-[2-[[6-(4-ethoxyphenoxy)pyrimidin-4-yl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10311204
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-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 44628740

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 10173955) is 5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1ccc(Oc2cc(N(C)CCOc3ccc(CC4SC(=O)NC4=O)cc3)ncn2)cc1.
What is the InChIKey of 5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is FKWSONXCGPTLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-16-3-7-19(8-4-16)32-22-14-21(25-15-26-22)28(2)11-12-31-18-9-5-17(6-10-18)13-20-23(29)27-24(30)33-20/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30).
What are the key properties of 5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 464.55 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[methyl-[6-(4-methylphenoxy)pyrimidin-4-yl]amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10173955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).