8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

C14H17N3OS — CID 63763286

IUPAC8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1ccc2nc(N3C4CCC3CC(O)C4)sc2c1
InChIInChI=1S/C14H17N3OS/c15-8-1-4-12-13(5-8)19-14(16-12)17-9-2-3-10(17)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7,15H2
InChIKeyZEHCPJRXGSXIHC-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.37
Rot. Bonds1

About 8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63763286) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63763286
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1ccc2nc(N3C4CCC3CC(O)C4)sc2c1
InChIInChI=1S/C14H17N3OS/c15-8-1-4-12-13(5-8)19-14(16-12)17-9-2-3-10(17)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7,15H2
InChIKeyZEHCPJRXGSXIHC-UHFFFAOYSA-N
XLogP2.37
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

(1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 163310507
8-([1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171704094
3-(6-amino-1,3-benzothiazol-2-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 60790908
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-benzothiazol-6-amine
CID 82747618
1-(6-amino-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 63231156
2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]-1,3-benzothiazole-6-carboxylic acid
CID 175200683
2-[1-(6-amino-1,3-benzothiazol-2-yl)piperidin-2-yl]ethanol
CID 63231116
3-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]cyclopentan-1-ol
CID 106119520
1-(6-amino-1,3-benzothiazol-2-yl)-3,3-dimethylpyrrolidine-2,5-dione
CID 65298783
2-(2-ethylazepan-1-yl)-1,3-benzothiazol-6-amine
CID 104688859
(5-amino-1-benzothiophen-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63763041
2-(2-pyridin-3-ylpyrrolidin-1-yl)-1,3-benzothiazol-6-amine
CID 63231246

Frequently Asked Questions

What is the IUPAC name of 8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63763286) is 8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is Nc1ccc2nc(N3C4CCC3CC(O)C4)sc2c1.
What is the InChIKey of 8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ZEHCPJRXGSXIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c15-8-1-4-12-13(5-8)19-14(16-12)17-9-2-3-10(17)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7,15H2.
What are the key properties of 8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 275.38 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63763286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).