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

C25H23N3O5S — CID 10288785

IUPAC(5Z)-5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(Oc2ccnc(N(C)CCOc3ccc(/C=C4\SC(=O)NC4=O)cc3)c2)cc1
InChIInChI=1S/C25H23N3O5S/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/h3-12,15-16H,13-14H2,1-2H3,(H,27,29,30)/b22-15-
InChIKeyOTZOKZZEODWWDN-JCMHNJIXSA-N
MW477.54 g/mol
LogP4.72
Rot. Bonds9

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

(5Z)-5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 10288785) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is (5Z)-5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID10288785
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC Name(5Z)-5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(Oc2ccnc(N(C)CCOc3ccc(/C=C4\SC(=O)NC4=O)cc3)c2)cc1
InChIInChI=1S/C25H23N3O5S/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/h3-12,15-16H,13-14H2,1-2H3,(H,27,29,30)/b22-15-
InChIKeyOTZOKZZEODWWDN-JCMHNJIXSA-N
XLogP4.72
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-[[4-[2-[[6-(4-ethoxyphenoxy)pyrimidin-4-yl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10311204
5-[[4-[2-[methyl(pyrimidin-4-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 74068224
5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10127979
5-[[4-[2-[pyridin-2-yl(trideuteriomethyl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 57369192
(5Z)-5-[[4-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10022234
2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethanol
CID 131855914
5-[[4-[5-[4-[5-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]pentoxy]phenoxy]pentoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 142633467
(5E)-5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2277906
5-[[4-[2-[methyl-[2-(4-sulfanylidenecyclohexa-1,5-dien-1-yl)oxy-3-pyridinyl]amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87240684
1-[2-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]ethyl]-1-methyl-3-phenylurea
CID 10408500
5-[[5-chloro-2-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2895966
(5Z)-5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl](114C)methylidene]-1,3-thiazolidine-2,4-dione
CID 15186150

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 10288785) is (5Z)-5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is COc1ccc(Oc2ccnc(N(C)CCOc3ccc(/C=C4\SC(=O)NC4=O)cc3)c2)cc1.
What is the InChIKey of (5Z)-5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is OTZOKZZEODWWDN-JCMHNJIXSA-N. The full InChI is InChI=1S/C25H23N3O5S/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/h3-12,15-16H,13-14H2,1-2H3,(H,27,29,30)/b22-15-.
What are the key properties of (5Z)-5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 477.54 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[2-[[4-(4-methoxyphenoxy)-2-pyridinyl]-methylamino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 10288785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).