5-[[4-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione

C17H15NO3S — CID 46231487

IUPAC5-[[4-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C17H15NO3S/c1-11-2-6-13(7-3-11)21-14-8-4-12(5-9-14)10-15-16(19)18-17(20)22-15/h2-9,15H,10H2,1H3,(H,18,19,20)
InChIKeyUAPVFNZAYWOYED-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.68
Rot. Bonds4

About 5-[[4-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 46231487) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-[[4-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID46231487
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name5-[[4-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1
InChIInChI=1S/C17H15NO3S/c1-11-2-6-13(7-3-11)21-14-8-4-12(5-9-14)10-15-16(19)18-17(20)22-15/h2-9,15H,10H2,1H3,(H,18,19,20)
InChIKeyUAPVFNZAYWOYED-UHFFFAOYSA-N
XLogP3.68
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[4-(4-methylphenoxy)phenyl]methyl]-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 5-[[4-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 46231487) is 5-[[4-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1.
What is the InChIKey of 5-[[4-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is UAPVFNZAYWOYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-11-2-6-13(7-3-11)21-14-8-4-12(5-9-14)10-15-16(19)18-17(20)22-15/h2-9,15H,10H2,1H3,(H,18,19,20).
What are the key properties of 5-[[4-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 313.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 46231487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).