2H-1,4-benzothiazin-3-amine

C8H8N2S — CID 820028

IUPAC2H-1,4-benzothiazin-3-amine
SMILESNC1=Nc2ccccc2SC1
InChIInChI=1S/C8H8N2S/c9-8-5-11-7-4-2-1-3-6(7)10-8/h1-4H,5H2,(H2,9,10)
InChIKeySBZQHWWTOVFQFD-UHFFFAOYSA-N
MW164.23 g/mol
LogP1.78
Rot. Bonds

About 2H-1,4-benzothiazin-3-amine

2H-1,4-benzothiazin-3-amine (PubChem CID 820028) has the molecular formula C8H8N2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 2H-1,4-benzothiazin-3-amine.

Molecular Properties

Compound Name2H-1,4-benzothiazin-3-amine
PubChem CID820028
Molecular FormulaC8H8N2S
Molecular Weight164.23 g/mol
Exact Mass164.04
IUPAC Name2H-1,4-benzothiazin-3-amine
SMILESNC1=Nc2ccccc2SC1
InChIInChI=1S/C8H8N2S/c9-8-5-11-7-4-2-1-3-6(7)10-8/h1-4H,5H2,(H2,9,10)
InChIKeySBZQHWWTOVFQFD-UHFFFAOYSA-N
XLogP1.78
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2H-1,4-benzothiazin-3-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 2H-1,4-benzothiazin-3-amine?
The IUPAC name of 2H-1,4-benzothiazin-3-amine (CID 820028) is 2H-1,4-benzothiazin-3-amine.
What is the SMILES notation for 2H-1,4-benzothiazin-3-amine?
The canonical SMILES for 2H-1,4-benzothiazin-3-amine is NC1=Nc2ccccc2SC1.
What is the InChIKey of 2H-1,4-benzothiazin-3-amine?
The InChIKey is SBZQHWWTOVFQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S/c9-8-5-11-7-4-2-1-3-6(7)10-8/h1-4H,5H2,(H2,9,10).
What are the key properties of 2H-1,4-benzothiazin-3-amine?
2H-1,4-benzothiazin-3-amine has a molecular weight of 164.23 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,4-benzothiazin-3-amine is sourced from PubChem (CID 820028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).