8-(2,1,3-benzothiadiazol-5-yl)quinoxalin-6-amine

C14H9N5S — CID 122690728

IUPAC8-(2,1,3-benzothiadiazol-5-yl)quinoxalin-6-amine
SMILESNc1cc(-c2ccc3nsnc3c2)c2nccnc2c1
InChIInChI=1S/C14H9N5S/c15-9-6-10(14-13(7-9)16-3-4-17-14)8-1-2-11-12(5-8)19-20-18-11/h1-7H,15H2
InChIKeyTYIUQSAZSCUNHU-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.88
Rot. Bonds1

About 8-(2,1,3-benzothiadiazol-5-yl)quinoxalin-6-amine

8-(2,1,3-benzothiadiazol-5-yl)quinoxalin-6-amine (PubChem CID 122690728) has the molecular formula C14H9N5S and a molecular weight of 279.33 g/mol. Its IUPAC name is 8-(2,1,3-benzothiadiazol-5-yl)quinoxalin-6-amine.

Molecular Properties

Compound Name8-(2,1,3-benzothiadiazol-5-yl)quinoxalin-6-amine
PubChem CID122690728
Molecular FormulaC14H9N5S
Molecular Weight279.33 g/mol
Exact Mass279.06
IUPAC Name8-(2,1,3-benzothiadiazol-5-yl)quinoxalin-6-amine
SMILESNc1cc(-c2ccc3nsnc3c2)c2nccnc2c1
InChIInChI=1S/C14H9N5S/c15-9-6-10(14-13(7-9)16-3-4-17-14)8-1-2-11-12(5-8)19-20-18-11/h1-7H,15H2
InChIKeyTYIUQSAZSCUNHU-UHFFFAOYSA-N
XLogP2.88
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-(2,1,3-benzothiadiazol-5-yl)quinoxalin-6-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 8-(2,1,3-benzothiadiazol-5-yl)quinoxalin-6-amine?
The IUPAC name of 8-(2,1,3-benzothiadiazol-5-yl)quinoxalin-6-amine (CID 122690728) is 8-(2,1,3-benzothiadiazol-5-yl)quinoxalin-6-amine.
What is the SMILES notation for 8-(2,1,3-benzothiadiazol-5-yl)quinoxalin-6-amine?
The canonical SMILES for 8-(2,1,3-benzothiadiazol-5-yl)quinoxalin-6-amine is Nc1cc(-c2ccc3nsnc3c2)c2nccnc2c1.
What is the InChIKey of 8-(2,1,3-benzothiadiazol-5-yl)quinoxalin-6-amine?
The InChIKey is TYIUQSAZSCUNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N5S/c15-9-6-10(14-13(7-9)16-3-4-17-14)8-1-2-11-12(5-8)19-20-18-11/h1-7H,15H2.
What are the key properties of 8-(2,1,3-benzothiadiazol-5-yl)quinoxalin-6-amine?
8-(2,1,3-benzothiadiazol-5-yl)quinoxalin-6-amine has a molecular weight of 279.33 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,1,3-benzothiadiazol-5-yl)quinoxalin-6-amine is sourced from PubChem (CID 122690728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).