N-(1,3-benzothiazol-6-yl)hydroxylamine

C7H6N2OS — CID 119085941

IUPACN-(1,3-benzothiazol-6-yl)hydroxylamine
SMILESONc1ccc2ncsc2c1
InChIInChI=1S/C7H6N2OS/c10-9-5-1-2-6-7(3-5)11-4-8-6/h1-4,9-10H
InChIKeyOQDAETMTJWWFEV-UHFFFAOYSA-N
MW166.21 g/mol
LogP2.10
Rot. Bonds1

About N-(1,3-benzothiazol-6-yl)hydroxylamine

N-(1,3-benzothiazol-6-yl)hydroxylamine (PubChem CID 119085941) has the molecular formula C7H6N2OS and a molecular weight of 166.21 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)hydroxylamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)hydroxylamine
PubChem CID119085941
Molecular FormulaC7H6N2OS
Molecular Weight166.21 g/mol
Exact Mass166.02
IUPAC NameN-(1,3-benzothiazol-6-yl)hydroxylamine
SMILESONc1ccc2ncsc2c1
InChIInChI=1S/C7H6N2OS/c10-9-5-1-2-6-7(3-5)11-4-8-6/h1-4,9-10H
InChIKeyOQDAETMTJWWFEV-UHFFFAOYSA-N
XLogP2.10
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1,3-benzothiazol-6-yl)hydroxylamine?
The IUPAC name of N-(1,3-benzothiazol-6-yl)hydroxylamine (CID 119085941) is N-(1,3-benzothiazol-6-yl)hydroxylamine.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)hydroxylamine?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)hydroxylamine is ONc1ccc2ncsc2c1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)hydroxylamine?
The InChIKey is OQDAETMTJWWFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2OS/c10-9-5-1-2-6-7(3-5)11-4-8-6/h1-4,9-10H.
What are the key properties of N-(1,3-benzothiazol-6-yl)hydroxylamine?
N-(1,3-benzothiazol-6-yl)hydroxylamine has a molecular weight of 166.21 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)hydroxylamine is sourced from PubChem (CID 119085941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).