[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole

C10H4N4S2 — CID 14896996

IUPAC[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole
SMILESc1cc2c(ccc3nsnc32)c2nsnc12
InChIInChI=1S/C10H4N4S2/c1-3-7-10(14-15-11-7)6-2-4-8-9(5(1)6)13-16-12-8/h1-4H
InChIKeyVHHDKHOBNKXVNU-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.85
Rot. Bonds

About [2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole

[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole (PubChem CID 14896996) has the molecular formula C10H4N4S2 and a molecular weight of 244.30 g/mol. Its IUPAC name is [2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole.

Molecular Properties

Compound Name[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole
PubChem CID14896996
Molecular FormulaC10H4N4S2
Molecular Weight244.30 g/mol
Exact Mass243.99
IUPAC Name[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole
SMILESc1cc2c(ccc3nsnc32)c2nsnc12
InChIInChI=1S/C10H4N4S2/c1-3-7-10(14-15-11-7)6-2-4-8-9(5(1)6)13-16-12-8/h1-4H
InChIKeyVHHDKHOBNKXVNU-UHFFFAOYSA-N
XLogP2.85
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole 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 [2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole?
The IUPAC name of [2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole (CID 14896996) is [2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole.
What is the SMILES notation for [2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole?
The canonical SMILES for [2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole is c1cc2c(ccc3nsnc32)c2nsnc12.
What is the InChIKey of [2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole?
The InChIKey is VHHDKHOBNKXVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N4S2/c1-3-7-10(14-15-11-7)6-2-4-8-9(5(1)6)13-16-12-8/h1-4H.
What are the key properties of [2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole?
[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole has a molecular weight of 244.30 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole is sourced from PubChem (CID 14896996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).