5-(4-methoxyanilino)-3-methyl-1,3-thiazolidine-2,4-dione

C11H12N2O3S — CID 3155776

IUPAC5-(4-methoxyanilino)-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(NC2SC(=O)N(C)C2=O)cc1
InChIInChI=1S/C11H12N2O3S/c1-13-10(14)9(17-11(13)15)12-7-3-5-8(16-2)6-4-7/h3-6,9,12H,1-2H3
InChIKeyZJAXWNCTYMJXRJ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.76
Rot. Bonds3

About 5-(4-methoxyanilino)-3-methyl-1,3-thiazolidine-2,4-dione

5-(4-methoxyanilino)-3-methyl-1,3-thiazolidine-2,4-dione (PubChem CID 3155776) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-(4-methoxyanilino)-3-methyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyanilino)-3-methyl-1,3-thiazolidine-2,4-dione
PubChem CID3155776
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name5-(4-methoxyanilino)-3-methyl-1,3-thiazolidine-2,4-dione
SMILESCOc1ccc(NC2SC(=O)N(C)C2=O)cc1
InChIInChI=1S/C11H12N2O3S/c1-13-10(14)9(17-11(13)15)12-7-3-5-8(16-2)6-4-7/h3-6,9,12H,1-2H3
InChIKeyZJAXWNCTYMJXRJ-UHFFFAOYSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 5-(4-methoxyanilino)-3-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-methoxyanilino)-3-methyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-(4-methoxyanilino)-3-methyl-1,3-thiazolidine-2,4-dione (CID 3155776) is 5-(4-methoxyanilino)-3-methyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyanilino)-3-methyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyanilino)-3-methyl-1,3-thiazolidine-2,4-dione is COc1ccc(NC2SC(=O)N(C)C2=O)cc1.
What is the InChIKey of 5-(4-methoxyanilino)-3-methyl-1,3-thiazolidine-2,4-dione?
The InChIKey is ZJAXWNCTYMJXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-13-10(14)9(17-11(13)15)12-7-3-5-8(16-2)6-4-7/h3-6,9,12H,1-2H3.
What are the key properties of 5-(4-methoxyanilino)-3-methyl-1,3-thiazolidine-2,4-dione?
5-(4-methoxyanilino)-3-methyl-1,3-thiazolidine-2,4-dione has a molecular weight of 252.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyanilino)-3-methyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3155776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).