2-(3,4-dioxo-[1,2,4]triazino[3,4-b][1,3]benzothiazol-2-yl)acetamide

C11H8N4O3S — CID 2816633

IUPAC2-(3,4-dioxo-[1,2,4]triazino[3,4-b][1,3]benzothiazol-2-yl)acetamide
SMILESNC(=O)Cn1nc2sc3ccccc3n2c(=O)c1=O
InChIInChI=1S/C11H8N4O3S/c12-8(16)5-14-9(17)10(18)15-6-3-1-2-4-7(6)19-11(15)13-14/h1-4H,5H2,(H2,12,16)
InChIKeyIOEXWANRQUBTMA-UHFFFAOYSA-N
MW276.28 g/mol
LogP-0.44
Rot. Bonds2

About 2-(3,4-dioxo-[1,2,4]triazino[3,4-b][1,3]benzothiazol-2-yl)acetamide

2-(3,4-dioxo-[1,2,4]triazino[3,4-b][1,3]benzothiazol-2-yl)acetamide (PubChem CID 2816633) has the molecular formula C11H8N4O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-(3,4-dioxo-[1,2,4]triazino[3,4-b][1,3]benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dioxo-[1,2,4]triazino[3,4-b][1,3]benzothiazol-2-yl)acetamide
PubChem CID2816633
Molecular FormulaC11H8N4O3S
Molecular Weight276.28 g/mol
Exact Mass276.03
IUPAC Name2-(3,4-dioxo-[1,2,4]triazino[3,4-b][1,3]benzothiazol-2-yl)acetamide
SMILESNC(=O)Cn1nc2sc3ccccc3n2c(=O)c1=O
InChIInChI=1S/C11H8N4O3S/c12-8(16)5-14-9(17)10(18)15-6-3-1-2-4-7(6)19-11(15)13-14/h1-4H,5H2,(H2,12,16)
InChIKeyIOEXWANRQUBTMA-UHFFFAOYSA-N
XLogP-0.44
TPSA99.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(3,4-dioxo-[1,2,4]triazino[3,4-b][1,3]benzothiazol-2-yl)acetamide 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-(3,4-dioxo-[1,2,4]triazino[3,4-b][1,3]benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3,4-dioxo-[1,2,4]triazino[3,4-b][1,3]benzothiazol-2-yl)acetamide (CID 2816633) is 2-(3,4-dioxo-[1,2,4]triazino[3,4-b][1,3]benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-dioxo-[1,2,4]triazino[3,4-b][1,3]benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,4-dioxo-[1,2,4]triazino[3,4-b][1,3]benzothiazol-2-yl)acetamide is NC(=O)Cn1nc2sc3ccccc3n2c(=O)c1=O.
What is the InChIKey of 2-(3,4-dioxo-[1,2,4]triazino[3,4-b][1,3]benzothiazol-2-yl)acetamide?
The InChIKey is IOEXWANRQUBTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O3S/c12-8(16)5-14-9(17)10(18)15-6-3-1-2-4-7(6)19-11(15)13-14/h1-4H,5H2,(H2,12,16).
What are the key properties of 2-(3,4-dioxo-[1,2,4]triazino[3,4-b][1,3]benzothiazol-2-yl)acetamide?
2-(3,4-dioxo-[1,2,4]triazino[3,4-b][1,3]benzothiazol-2-yl)acetamide has a molecular weight of 276.28 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dioxo-[1,2,4]triazino[3,4-b][1,3]benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2816633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).