5-[[4-[2-[(E)-1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C25H23N3O4S — CID 18316599

IUPAC5-[[4-[2-[(E)-1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESC/C(=N\OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C25H23N3O4S/c1-17(19-7-9-20(10-8-19)22-4-2-3-13-26-22)28-32-15-14-31-21-11-5-18(6-12-21)16-23-24(29)27-25(30)33-23/h2-13,23H,14-16H2,1H3,(H,27,29,30)/b28-17+
InChIKeyAMEWCLDVKLXCCZ-OGLMXYFKSA-N
MW461.54 g/mol
LogP4.46
Rot. Bonds9

About 5-[[4-[2-[(E)-1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[2-[(E)-1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 18316599) has the molecular formula C25H23N3O4S and a molecular weight of 461.54 g/mol. Its IUPAC name is 5-[[4-[2-[(E)-1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-[(E)-1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID18316599
Molecular FormulaC25H23N3O4S
Molecular Weight461.54 g/mol
Exact Mass461.14
IUPAC Name5-[[4-[2-[(E)-1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESC/C(=N\OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C25H23N3O4S/c1-17(19-7-9-20(10-8-19)22-4-2-3-13-26-22)28-32-15-14-31-21-11-5-18(6-12-21)16-23-24(29)27-25(30)33-23/h2-13,23H,14-16H2,1H3,(H,27,29,30)/b28-17+
InChIKeyAMEWCLDVKLXCCZ-OGLMXYFKSA-N
XLogP4.46
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

Pioglitazone
CID 4829
Pioglitazone Hydrochloride
CID 60560
Leriglitazone
CID 4147757
Mitoglitazone
CID 10429242
5-((4-(2-(1H-Indol-1-yl)ethoxy)phenyl)methyl)-2,4-thiazolidinedione
CID 154005
Pioglitazone, (S)-
CID 29010893
(5Z)-5-[[4-(2-pyridin-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 15717185
5-[[4-[(2S)-2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 23651402
5-(4-(2-(5-Ethylpyridin-2-yl)-2-hydroxyethoxy)benzyl)thiazolidine-2,4-dione
CID 9864268
Carboxy Pioglitazone (M-V)
CID 10068721
Deuteropioglitazone, (5R)-
CID 49835993
(5R)-5-[[4-[2-(5-ethyl-2-pyridinyl)-2-oxoethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 40466907

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-[(E)-1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-[(E)-1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 18316599) is 5-[[4-[2-[(E)-1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-[(E)-1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-[(E)-1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is C/C(=N\OCCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of 5-[[4-[2-[(E)-1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is AMEWCLDVKLXCCZ-OGLMXYFKSA-N. The full InChI is InChI=1S/C25H23N3O4S/c1-17(19-7-9-20(10-8-19)22-4-2-3-13-26-22)28-32-15-14-31-21-11-5-18(6-12-21)16-23-24(29)27-25(30)33-23/h2-13,23H,14-16H2,1H3,(H,27,29,30)/b28-17+.
What are the key properties of 5-[[4-[2-[(E)-1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[2-[(E)-1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 461.54 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[(E)-1-(4-pyridin-2-ylphenyl)ethylideneamino]oxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18316599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).