8-(4-amino-1,3-benzothiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol

C14H17N3OS — CID 55237209

IUPAC8-(4-amino-1,3-benzothiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1c(N2C3CCC2CC(O)C3)ccc2scnc12
InChIInChI=1S/C14H17N3OS/c15-13-11(3-4-12-14(13)16-7-19-12)17-8-1-2-9(17)6-10(18)5-8/h3-4,7-10,18H,1-2,5-6,15H2
InChIKeyWDOKWTXFOCCUIX-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.37
Rot. Bonds1

About 8-(4-amino-1,3-benzothiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(4-amino-1,3-benzothiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55237209) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 8-(4-amino-1,3-benzothiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(4-amino-1,3-benzothiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55237209
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name8-(4-amino-1,3-benzothiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESNc1c(N2C3CCC2CC(O)C3)ccc2scnc12
InChIInChI=1S/C14H17N3OS/c15-13-11(3-4-12-14(13)16-7-19-12)17-8-1-2-9(17)6-10(18)5-8/h3-4,7-10,18H,1-2,5-6,15H2
InChIKeyWDOKWTXFOCCUIX-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'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-amino-1,3-benzothiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(4-amino-1,3-benzothiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 55237209) is 8-(4-amino-1,3-benzothiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(4-amino-1,3-benzothiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(4-amino-1,3-benzothiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is Nc1c(N2C3CCC2CC(O)C3)ccc2scnc12.
What is the InChIKey of 8-(4-amino-1,3-benzothiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is WDOKWTXFOCCUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c15-13-11(3-4-12-14(13)16-7-19-12)17-8-1-2-9(17)6-10(18)5-8/h3-4,7-10,18H,1-2,5-6,15H2.
What are the key properties of 8-(4-amino-1,3-benzothiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(4-amino-1,3-benzothiazol-5-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-(4-amino-1,3-benzothiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55237209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).