1,3-benzothiazin-2-one

C8H5NOS — CID 22939514

IUPAC1,3-benzothiazin-2-one
SMILESO=c1ncc2ccccc2s1
InChIInChI=1S/C8H5NOS/c10-8-9-5-6-3-1-2-4-7(6)11-8/h1-5H
InChIKeyVZDZFMYULLOZAY-UHFFFAOYSA-N
MW163.20 g/mol
LogP1.66
Rot. Bonds

About 1,3-benzothiazin-2-one

1,3-benzothiazin-2-one (PubChem CID 22939514) has the molecular formula C8H5NOS and a molecular weight of 163.20 g/mol. Its IUPAC name is 1,3-benzothiazin-2-one.

Molecular Properties

Compound Name1,3-benzothiazin-2-one
PubChem CID22939514
Molecular FormulaC8H5NOS
Molecular Weight163.20 g/mol
Exact Mass163.01
IUPAC Name1,3-benzothiazin-2-one
SMILESO=c1ncc2ccccc2s1
InChIInChI=1S/C8H5NOS/c10-8-9-5-6-3-1-2-4-7(6)11-8/h1-5H
InChIKeyVZDZFMYULLOZAY-UHFFFAOYSA-N
XLogP1.66
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-benzothiazin-2-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 1,3-benzothiazin-2-one?
The IUPAC name of 1,3-benzothiazin-2-one (CID 22939514) is 1,3-benzothiazin-2-one.
What is the SMILES notation for 1,3-benzothiazin-2-one?
The canonical SMILES for 1,3-benzothiazin-2-one is O=c1ncc2ccccc2s1.
What is the InChIKey of 1,3-benzothiazin-2-one?
The InChIKey is VZDZFMYULLOZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NOS/c10-8-9-5-6-3-1-2-4-7(6)11-8/h1-5H.
What are the key properties of 1,3-benzothiazin-2-one?
1,3-benzothiazin-2-one has a molecular weight of 163.20 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazin-2-one is sourced from PubChem (CID 22939514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).