2-(4-ethylanilino)-3,1-benzothiazin-4-one

C16H14N2OS — CID 2905565

IUPAC2-(4-ethylanilino)-3,1-benzothiazin-4-one
SMILESCCc1ccc(Nc2nc3ccccc3c(=O)s2)cc1
InChIInChI=1S/C16H14N2OS/c1-2-11-7-9-12(10-8-11)17-16-18-14-6-4-3-5-13(14)15(19)20-16/h3-10H,2H2,1H3,(H,17,18)
InChIKeyFSECYCJPCKJOTP-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.96
Rot. Bonds3

About 2-(4-ethylanilino)-3,1-benzothiazin-4-one

2-(4-ethylanilino)-3,1-benzothiazin-4-one (PubChem CID 2905565) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(4-ethylanilino)-3,1-benzothiazin-4-one.

Molecular Properties

Compound Name2-(4-ethylanilino)-3,1-benzothiazin-4-one
PubChem CID2905565
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name2-(4-ethylanilino)-3,1-benzothiazin-4-one
SMILESCCc1ccc(Nc2nc3ccccc3c(=O)s2)cc1
InChIInChI=1S/C16H14N2OS/c1-2-11-7-9-12(10-8-11)17-16-18-14-6-4-3-5-13(14)15(19)20-16/h3-10H,2H2,1H3,(H,17,18)
InChIKeyFSECYCJPCKJOTP-UHFFFAOYSA-N
XLogP3.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethylanilino)-3,1-benzothiazin-4-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-ethylanilino)-3,1-benzothiazin-4-one?
The IUPAC name of 2-(4-ethylanilino)-3,1-benzothiazin-4-one (CID 2905565) is 2-(4-ethylanilino)-3,1-benzothiazin-4-one.
What is the SMILES notation for 2-(4-ethylanilino)-3,1-benzothiazin-4-one?
The canonical SMILES for 2-(4-ethylanilino)-3,1-benzothiazin-4-one is CCc1ccc(Nc2nc3ccccc3c(=O)s2)cc1.
What is the InChIKey of 2-(4-ethylanilino)-3,1-benzothiazin-4-one?
The InChIKey is FSECYCJPCKJOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-2-11-7-9-12(10-8-11)17-16-18-14-6-4-3-5-13(14)15(19)20-16/h3-10H,2H2,1H3,(H,17,18).
What are the key properties of 2-(4-ethylanilino)-3,1-benzothiazin-4-one?
2-(4-ethylanilino)-3,1-benzothiazin-4-one has a molecular weight of 282.37 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)-3,1-benzothiazin-4-one is sourced from PubChem (CID 2905565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).