(5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C25H21NO4S — CID 1346574

IUPAC(5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1
InChIInChI=1S/C25H21NO4S/c1-29-22-14-20(12-13-21(22)30-17-19-10-6-3-7-11-19)15-23-24(27)26(25(28)31-23)16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3/b23-15-
InChIKeyUPUROXXFYNDNMU-HAHDFKILSA-N
MW431.51 g/mol
LogP5.51
Rot. Bonds7

About (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1346574) has the molecular formula C25H21NO4S and a molecular weight of 431.51 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1346574
Molecular FormulaC25H21NO4S
Molecular Weight431.51 g/mol
Exact Mass431.12
IUPAC Name(5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1
InChIInChI=1S/C25H21NO4S/c1-29-22-14-20(12-13-21(22)30-17-19-10-6-3-7-11-19)15-23-24(27)26(25(28)31-23)16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3/b23-15-
InChIKeyUPUROXXFYNDNMU-HAHDFKILSA-N
XLogP5.51
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxyphenyl)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)-3-benzyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1346574) is (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1.
What is the InChIKey of (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is UPUROXXFYNDNMU-HAHDFKILSA-N. The full InChI is InChI=1S/C25H21NO4S/c1-29-22-14-20(12-13-21(22)30-17-19-10-6-3-7-11-19)15-23-24(27)26(25(28)31-23)16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3/b23-15-.
What are the key properties of (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 431.51 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1346574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).