N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine

C7H6N3O2S- — CID 163173457

IUPACN-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine
SMILESNc1nc2ccc(N([O-])O)cc2s1
InChIInChI=1S/C7H6N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3,11H,(H2,8,9)/q-1
InChIKeyGICKPDRCPFPTRZ-UHFFFAOYSA-N
MW196.21 g/mol
LogP1.57
Rot. Bonds1

About N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine

N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine (PubChem CID 163173457) has the molecular formula C7H6N3O2S- and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine.

Molecular Properties

Compound NameN-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine
PubChem CID163173457
Molecular FormulaC7H6N3O2S-
Molecular Weight196.21 g/mol
Exact Mass196.02
IUPAC NameN-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine
SMILESNc1nc2ccc(N([O-])O)cc2s1
InChIInChI=1S/C7H6N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3,11H,(H2,8,9)/q-1
InChIKeyGICKPDRCPFPTRZ-UHFFFAOYSA-N
XLogP1.57
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 17244961
2-amino-1,3-benzothiazole-6-sulfonyl fluoride
CID 130156167
(2-amino-1,3-benzothiazol-6-yl)boronic acid
CID 119086634
6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride
CID 53433226
6-N-(5-chloro-3-pyridinyl)-6-N-methyl-1,3-benzothiazole-2,6-diamine
CID 156811688
6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
CID 139217681
N-[2-[4-(2,2-dimethylpropyl)phenyl]-1,3-benzothiazol-6-yl]-N-oxidohydroxylamine
CID 163937987
2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 65349067
6-hydrazinyl-1,3-benzothiazol-2-amine
CID 116994182
6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
CID 82549906
2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349019
2-amino-N-methyl-N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 113498617

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine?
The IUPAC name of N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine (CID 163173457) is N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine.
What is the SMILES notation for N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine?
The canonical SMILES for N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine is Nc1nc2ccc(N([O-])O)cc2s1.
What is the InChIKey of N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine?
The InChIKey is GICKPDRCPFPTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N3O2S/c8-7-9-5-2-1-4(10(11)12)3-6(5)13-7/h1-3,11H,(H2,8,9)/q-1.
What are the key properties of N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine?
N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine has a molecular weight of 196.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine is sourced from PubChem (CID 163173457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).