5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine

C9H9BrN2OS — CID 58429236

IUPAC5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine
SMILESC=S1(=O)Cc2cccc(Br)c2C(N)=N1
InChIInChI=1S/C9H9BrN2OS/c1-14(13)5-6-3-2-4-7(10)8(6)9(11)12-14/h2-4H,1,5H2,(H2,11,12,13)
InChIKeyFWSCINREYGVNNU-UHFFFAOYSA-N
MW273.15 g/mol
LogP1.30
Rot. Bonds

About 5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine

5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine (PubChem CID 58429236) has the molecular formula C9H9BrN2OS and a molecular weight of 273.15 g/mol. Its IUPAC name is 5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine.

Molecular Properties

Compound Name5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine
PubChem CID58429236
Molecular FormulaC9H9BrN2OS
Molecular Weight273.15 g/mol
Exact Mass271.96
IUPAC Name5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine
SMILESC=S1(=O)Cc2cccc(Br)c2C(N)=N1
InChIInChI=1S/C9H9BrN2OS/c1-14(13)5-6-3-2-4-7(10)8(6)9(11)12-14/h2-4H,1,5H2,(H2,11,12,13)
InChIKeyFWSCINREYGVNNU-UHFFFAOYSA-N
XLogP1.30
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-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 5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine?
The IUPAC name of 5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine (CID 58429236) is 5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine.
What is the SMILES notation for 5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine?
The canonical SMILES for 5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine is C=S1(=O)Cc2cccc(Br)c2C(N)=N1.
What is the InChIKey of 5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine?
The InChIKey is FWSCINREYGVNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2OS/c1-14(13)5-6-3-2-4-7(10)8(6)9(11)12-14/h2-4H,1,5H2,(H2,11,12,13).
What are the key properties of 5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine?
5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine has a molecular weight of 273.15 g/mol, XLogP of 1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylidene-2-oxo-1H-2λ6,3-benzothiazin-4-amine is sourced from PubChem (CID 58429236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).