1,2,3-benzothiadiazol-7-ylmethanamine

C7H7N3S — CID 19784590

IUPAC1,2,3-benzothiadiazol-7-ylmethanamine
SMILESNCc1cccc2nnsc12
InChIInChI=1S/C7H7N3S/c8-4-5-2-1-3-6-7(5)11-10-9-6/h1-3H,4,8H2
InChIKeyWAQYLYGPHXARQE-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.15
Rot. Bonds1

About 1,2,3-benzothiadiazol-7-ylmethanamine

1,2,3-benzothiadiazol-7-ylmethanamine (PubChem CID 19784590) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 1,2,3-benzothiadiazol-7-ylmethanamine.

Molecular Properties

Compound Name1,2,3-benzothiadiazol-7-ylmethanamine
PubChem CID19784590
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name1,2,3-benzothiadiazol-7-ylmethanamine
SMILESNCc1cccc2nnsc12
InChIInChI=1S/C7H7N3S/c8-4-5-2-1-3-6-7(5)11-10-9-6/h1-3H,4,8H2
InChIKeyWAQYLYGPHXARQE-UHFFFAOYSA-N
XLogP1.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-benzothiadiazol-7-ylmethanamine?
The IUPAC name of 1,2,3-benzothiadiazol-7-ylmethanamine (CID 19784590) is 1,2,3-benzothiadiazol-7-ylmethanamine.
What is the SMILES notation for 1,2,3-benzothiadiazol-7-ylmethanamine?
The canonical SMILES for 1,2,3-benzothiadiazol-7-ylmethanamine is NCc1cccc2nnsc12.
What is the InChIKey of 1,2,3-benzothiadiazol-7-ylmethanamine?
The InChIKey is WAQYLYGPHXARQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c8-4-5-2-1-3-6-7(5)11-10-9-6/h1-3H,4,8H2.
What are the key properties of 1,2,3-benzothiadiazol-7-ylmethanamine?
1,2,3-benzothiadiazol-7-ylmethanamine has a molecular weight of 165.22 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-benzothiadiazol-7-ylmethanamine is sourced from PubChem (CID 19784590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).