5-(4-methoxyanilino)-2-methyl-1,3-benzothiazole-4,7-dione

C15H12N2O3S — CID 11722322

IUPAC5-(4-methoxyanilino)-2-methyl-1,3-benzothiazole-4,7-dione
SMILESCOc1ccc(NC2=CC(=O)c3sc(C)nc3C2=O)cc1
InChIInChI=1S/C15H12N2O3S/c1-8-16-13-14(19)11(7-12(18)15(13)21-8)17-9-3-5-10(20-2)6-4-9/h3-7,17H,1-2H3
InChIKeyZQAMRAQBLCUERN-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.84
Rot. Bonds3

About 5-(4-methoxyanilino)-2-methyl-1,3-benzothiazole-4,7-dione

5-(4-methoxyanilino)-2-methyl-1,3-benzothiazole-4,7-dione (PubChem CID 11722322) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-(4-methoxyanilino)-2-methyl-1,3-benzothiazole-4,7-dione.

Molecular Properties

Compound Name5-(4-methoxyanilino)-2-methyl-1,3-benzothiazole-4,7-dione
PubChem CID11722322
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name5-(4-methoxyanilino)-2-methyl-1,3-benzothiazole-4,7-dione
SMILESCOc1ccc(NC2=CC(=O)c3sc(C)nc3C2=O)cc1
InChIInChI=1S/C15H12N2O3S/c1-8-16-13-14(19)11(7-12(18)15(13)21-8)17-9-3-5-10(20-2)6-4-9/h3-7,17H,1-2H3
InChIKeyZQAMRAQBLCUERN-UHFFFAOYSA-N
XLogP2.84
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 5-(4-methoxyanilino)-2-methyl-1,3-benzothiazole-4,7-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)-2-methyl-1,3-benzothiazole-4,7-dione?
The IUPAC name of 5-(4-methoxyanilino)-2-methyl-1,3-benzothiazole-4,7-dione (CID 11722322) is 5-(4-methoxyanilino)-2-methyl-1,3-benzothiazole-4,7-dione.
What is the SMILES notation for 5-(4-methoxyanilino)-2-methyl-1,3-benzothiazole-4,7-dione?
The canonical SMILES for 5-(4-methoxyanilino)-2-methyl-1,3-benzothiazole-4,7-dione is COc1ccc(NC2=CC(=O)c3sc(C)nc3C2=O)cc1.
What is the InChIKey of 5-(4-methoxyanilino)-2-methyl-1,3-benzothiazole-4,7-dione?
The InChIKey is ZQAMRAQBLCUERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-8-16-13-14(19)11(7-12(18)15(13)21-8)17-9-3-5-10(20-2)6-4-9/h3-7,17H,1-2H3.
What are the key properties of 5-(4-methoxyanilino)-2-methyl-1,3-benzothiazole-4,7-dione?
5-(4-methoxyanilino)-2-methyl-1,3-benzothiazole-4,7-dione has a molecular weight of 300.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyanilino)-2-methyl-1,3-benzothiazole-4,7-dione is sourced from PubChem (CID 11722322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).