2-ethyl-3-phenyl-2H-1,4-benzothiazine

C16H15NS — CID 154198566

IUPAC2-ethyl-3-phenyl-2H-1,4-benzothiazine
SMILESCCC1Sc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C16H15NS/c1-2-14-16(12-8-4-3-5-9-12)17-13-10-6-7-11-15(13)18-14/h3-11,14H,2H2,1H3
InChIKeyOJCGGBZAJCBWCU-UHFFFAOYSA-N
MW253.37 g/mol
LogP4.69
Rot. Bonds2

About 2-ethyl-3-phenyl-2H-1,4-benzothiazine

2-ethyl-3-phenyl-2H-1,4-benzothiazine (PubChem CID 154198566) has the molecular formula C16H15NS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-ethyl-3-phenyl-2H-1,4-benzothiazine.

Molecular Properties

Compound Name2-ethyl-3-phenyl-2H-1,4-benzothiazine
PubChem CID154198566
Molecular FormulaC16H15NS
Molecular Weight253.37 g/mol
Exact Mass253.09
IUPAC Name2-ethyl-3-phenyl-2H-1,4-benzothiazine
SMILESCCC1Sc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C16H15NS/c1-2-14-16(12-8-4-3-5-9-12)17-13-10-6-7-11-15(13)18-14/h3-11,14H,2H2,1H3
InChIKeyOJCGGBZAJCBWCU-UHFFFAOYSA-N
XLogP4.69
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-3-phenyl-2H-1,4-benzothiazine 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-ethyl-3-phenyl-2H-1,4-benzothiazine?
The IUPAC name of 2-ethyl-3-phenyl-2H-1,4-benzothiazine (CID 154198566) is 2-ethyl-3-phenyl-2H-1,4-benzothiazine.
What is the SMILES notation for 2-ethyl-3-phenyl-2H-1,4-benzothiazine?
The canonical SMILES for 2-ethyl-3-phenyl-2H-1,4-benzothiazine is CCC1Sc2ccccc2N=C1c1ccccc1.
What is the InChIKey of 2-ethyl-3-phenyl-2H-1,4-benzothiazine?
The InChIKey is OJCGGBZAJCBWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS/c1-2-14-16(12-8-4-3-5-9-12)17-13-10-6-7-11-15(13)18-14/h3-11,14H,2H2,1H3.
What are the key properties of 2-ethyl-3-phenyl-2H-1,4-benzothiazine?
2-ethyl-3-phenyl-2H-1,4-benzothiazine has a molecular weight of 253.37 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-phenyl-2H-1,4-benzothiazine is sourced from PubChem (CID 154198566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).