2-(4-methylanilino)-4H-1,4-benzothiazin-3-one

C15H14N2OS — CID 3649400

IUPAC2-(4-methylanilino)-4H-1,4-benzothiazin-3-one
SMILESCc1ccc(NC2Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C15H14N2OS/c1-10-6-8-11(9-7-10)16-15-14(18)17-12-4-2-3-5-13(12)19-15/h2-9,15-16H,1H3,(H,17,18)
InChIKeyCGTIJKGAMZLDAQ-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.48
Rot. Bonds2

About 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one

2-(4-methylanilino)-4H-1,4-benzothiazin-3-one (PubChem CID 3649400) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name2-(4-methylanilino)-4H-1,4-benzothiazin-3-one
PubChem CID3649400
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name2-(4-methylanilino)-4H-1,4-benzothiazin-3-one
SMILESCc1ccc(NC2Sc3ccccc3NC2=O)cc1
InChIInChI=1S/C15H14N2OS/c1-10-6-8-11(9-7-10)16-15-14(18)17-12-4-2-3-5-13(12)19-15/h2-9,15-16H,1H3,(H,17,18)
InChIKeyCGTIJKGAMZLDAQ-UHFFFAOYSA-N
XLogP3.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one 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 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one?
The IUPAC name of 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one (CID 3649400) is 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one is Cc1ccc(NC2Sc3ccccc3NC2=O)cc1.
What is the InChIKey of 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one?
The InChIKey is CGTIJKGAMZLDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-6-8-11(9-7-10)16-15-14(18)17-12-4-2-3-5-13(12)19-15/h2-9,15-16H,1H3,(H,17,18).
What are the key properties of 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one?
2-(4-methylanilino)-4H-1,4-benzothiazin-3-one has a molecular weight of 270.36 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 3649400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).