N-(2,1,3-benzothiadiazol-5-yl)hydroxylamine

C6H5N3OS — CID 136951415

IUPACN-(2,1,3-benzothiadiazol-5-yl)hydroxylamine
SMILESONc1ccc2nsnc2c1
InChIInChI=1S/C6H5N3OS/c10-7-4-1-2-5-6(3-4)9-11-8-5/h1-3,7,10H
InChIKeyXTYPNNDJNIOLFS-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.49
Rot. Bonds1

About N-(2,1,3-benzothiadiazol-5-yl)hydroxylamine

N-(2,1,3-benzothiadiazol-5-yl)hydroxylamine (PubChem CID 136951415) has the molecular formula C6H5N3OS and a molecular weight of 167.19 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-yl)hydroxylamine.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-yl)hydroxylamine
PubChem CID136951415
Molecular FormulaC6H5N3OS
Molecular Weight167.19 g/mol
Exact Mass167.02
IUPAC NameN-(2,1,3-benzothiadiazol-5-yl)hydroxylamine
SMILESONc1ccc2nsnc2c1
InChIInChI=1S/C6H5N3OS/c10-7-4-1-2-5-6(3-4)9-11-8-5/h1-3,7,10H
InChIKeyXTYPNNDJNIOLFS-UHFFFAOYSA-N
XLogP1.49
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)hydroxylamine?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-yl)hydroxylamine (CID 136951415) is N-(2,1,3-benzothiadiazol-5-yl)hydroxylamine.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-yl)hydroxylamine?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-yl)hydroxylamine is ONc1ccc2nsnc2c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-yl)hydroxylamine?
The InChIKey is XTYPNNDJNIOLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OS/c10-7-4-1-2-5-6(3-4)9-11-8-5/h1-3,7,10H.
What are the key properties of N-(2,1,3-benzothiadiazol-5-yl)hydroxylamine?
N-(2,1,3-benzothiadiazol-5-yl)hydroxylamine has a molecular weight of 167.19 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-yl)hydroxylamine is sourced from PubChem (CID 136951415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).