(5Z)-5-[[4-methoxy-3-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C26H18N2O4S — CID 11363022

IUPAC(5Z)-5-[[4-methoxy-3-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\SC(=O)NC2=O)cc1C#CCN1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H18N2O4S/c1-31-21-13-12-17(16-24-25(29)27-26(30)33-24)15-18(21)7-6-14-28-19-8-2-4-10-22(19)32-23-11-5-3-9-20(23)28/h2-5,8-13,15-16H,14H2,1H3,(H,27,29,30)/b24-16-
InChIKeyDBGRKSFMZXQYKB-JLPGSUDCSA-N
MW454.51 g/mol
LogP5.31
Rot. Bonds3

About (5Z)-5-[[4-methoxy-3-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[4-methoxy-3-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 11363022) has the molecular formula C26H18N2O4S and a molecular weight of 454.51 g/mol. Its IUPAC name is (5Z)-5-[[4-methoxy-3-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-methoxy-3-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID11363022
Molecular FormulaC26H18N2O4S
Molecular Weight454.51 g/mol
Exact Mass454.10
IUPAC Name(5Z)-5-[[4-methoxy-3-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(/C=C2\SC(=O)NC2=O)cc1C#CCN1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H18N2O4S/c1-31-21-13-12-17(16-24-25(29)27-26(30)33-24)15-18(21)7-6-14-28-19-8-2-4-10-22(19)32-23-11-5-3-9-20(23)28/h2-5,8-13,15-16H,14H2,1H3,(H,27,29,30)/b24-16-
InChIKeyDBGRKSFMZXQYKB-JLPGSUDCSA-N
XLogP5.31
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5Z)-5-[[4-methoxy-3-(3-phenoxazin-10-ylprop-1-ynyl)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

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-methoxy-3-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-methoxy-3-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 11363022) is (5Z)-5-[[4-methoxy-3-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-methoxy-3-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-methoxy-3-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is COc1ccc(/C=C2\SC(=O)NC2=O)cc1C#CCN1c2ccccc2Oc2ccccc21.
What is the InChIKey of (5Z)-5-[[4-methoxy-3-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is DBGRKSFMZXQYKB-JLPGSUDCSA-N. The full InChI is InChI=1S/C26H18N2O4S/c1-31-21-13-12-17(16-24-25(29)27-26(30)33-24)15-18(21)7-6-14-28-19-8-2-4-10-22(19)32-23-11-5-3-9-20(23)28/h2-5,8-13,15-16H,14H2,1H3,(H,27,29,30)/b24-16-.
What are the key properties of (5Z)-5-[[4-methoxy-3-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-methoxy-3-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 454.51 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-methoxy-3-(3-phenoxazin-10-ylprop-1-ynyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11363022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).