5-ethenyl-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine

C9H9N3OS — CID 89468290

IUPAC5-ethenyl-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine
SMILESC=Cc1cccc2c1C(N)=NS(=O)N2
InChIInChI=1S/C9H9N3OS/c1-2-6-4-3-5-7-8(6)9(10)12-14(13)11-7/h2-5,11H,1H2,(H2,10,12)
InChIKeyINTVNYXFNLRRQL-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.04
Rot. Bonds1

About 5-ethenyl-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine

5-ethenyl-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine (PubChem CID 89468290) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 5-ethenyl-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine.

Molecular Properties

Compound Name5-ethenyl-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine
PubChem CID89468290
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name5-ethenyl-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine
SMILESC=Cc1cccc2c1C(N)=NS(=O)N2
InChIInChI=1S/C9H9N3OS/c1-2-6-4-3-5-7-8(6)9(10)12-14(13)11-7/h2-5,11H,1H2,(H2,10,12)
InChIKeyINTVNYXFNLRRQL-UHFFFAOYSA-N
XLogP1.04
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-ethenyl-2-oxo-1H-2λ4,1,3-benzothiadiazin-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-ethenyl-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine?
The IUPAC name of 5-ethenyl-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine (CID 89468290) is 5-ethenyl-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine.
What is the SMILES notation for 5-ethenyl-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine?
The canonical SMILES for 5-ethenyl-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine is C=Cc1cccc2c1C(N)=NS(=O)N2.
What is the InChIKey of 5-ethenyl-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine?
The InChIKey is INTVNYXFNLRRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-2-6-4-3-5-7-8(6)9(10)12-14(13)11-7/h2-5,11H,1H2,(H2,10,12).
What are the key properties of 5-ethenyl-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine?
5-ethenyl-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine has a molecular weight of 207.26 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-oxo-1H-2λ4,1,3-benzothiadiazin-4-amine is sourced from PubChem (CID 89468290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).