4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine

C16H16N2S — CID 86082876

IUPAC4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine
SMILESCCC1SC(Nc2ccccc2)=Nc2ccccc21
InChIInChI=1S/C16H16N2S/c1-2-15-13-10-6-7-11-14(13)18-16(19-15)17-12-8-4-3-5-9-12/h3-11,15H,2H2,1H3,(H,17,18)
InChIKeyBNIPUYRRAOTYPP-UHFFFAOYSA-N
MW268.38 g/mol
LogP4.98
Rot. Bonds2

About 4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine

4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine (PubChem CID 86082876) has the molecular formula C16H16N2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine.

Molecular Properties

Compound Name4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine
PubChem CID86082876
Molecular FormulaC16H16N2S
Molecular Weight268.38 g/mol
Exact Mass268.10
IUPAC Name4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine
SMILESCCC1SC(Nc2ccccc2)=Nc2ccccc21
InChIInChI=1S/C16H16N2S/c1-2-15-13-10-6-7-11-14(13)18-16(19-15)17-12-8-4-3-5-9-12/h3-11,15H,2H2,1H3,(H,17,18)
InChIKeyBNIPUYRRAOTYPP-UHFFFAOYSA-N
XLogP4.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine 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 4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine?
The IUPAC name of 4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine (CID 86082876) is 4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine.
What is the SMILES notation for 4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine?
The canonical SMILES for 4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine is CCC1SC(Nc2ccccc2)=Nc2ccccc21.
What is the InChIKey of 4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine?
The InChIKey is BNIPUYRRAOTYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-2-15-13-10-6-7-11-14(13)18-16(19-15)17-12-8-4-3-5-9-12/h3-11,15H,2H2,1H3,(H,17,18).
What are the key properties of 4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine?
4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine has a molecular weight of 268.38 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-phenyl-4H-3,1-benzothiazin-2-amine is sourced from PubChem (CID 86082876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).