(1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol

C15H18N2OS — CID 163310507

IUPAC(1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1C[C@H]2CCC[C@@H](C1)N2c1nc2ccccc2s1
InChIInChI=1S/C15H18N2OS/c18-12-8-10-4-3-5-11(9-12)17(10)15-16-13-6-1-2-7-14(13)19-15/h1-2,6-7,10-12,18H,3-5,8-9H2/t10-,11+,12?
InChIKeyGFSBMVMGWRCJMF-FOSCPWQOSA-N
MW274.39 g/mol
LogP3.18
Rot. Bonds1

About (1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol

(1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 163310507) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name(1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID163310507
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1C[C@H]2CCC[C@@H](C1)N2c1nc2ccccc2s1
InChIInChI=1S/C15H18N2OS/c18-12-8-10-4-3-5-11(9-12)17(10)15-16-13-6-1-2-7-14(13)19-15/h1-2,6-7,10-12,18H,3-5,8-9H2/t10-,11+,12?
InChIKeyGFSBMVMGWRCJMF-FOSCPWQOSA-N
XLogP3.18
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-([1,3]thiazolo[4,5-c]pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
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8-(6-amino-1,3-benzothiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63763286
(1S,5R)-9-quinoxalin-2-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 162638010
(2S,3aS,7aS)-1-(1,3-benzothiazol-2-yl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide
CID 98751355
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ethane;2-(2,3,5,6-tetramethylpiperazin-1-yl)-1,3-benzothiazole;vanadium
CID 158315434
(3aR,7aR)-2-(1,3-benzothiazol-2-yl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
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1-(1,3-benzothiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 16783768
2-(3-pyrazol-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 133275836
1-(1,3-benzothiazol-2-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051637
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of (1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 163310507) is (1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for (1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for (1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol is OC1C[C@H]2CCC[C@@H](C1)N2c1nc2ccccc2s1.
What is the InChIKey of (1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is GFSBMVMGWRCJMF-FOSCPWQOSA-N. The full InChI is InChI=1S/C15H18N2OS/c18-12-8-10-4-3-5-11(9-12)17(10)15-16-13-6-1-2-7-14(13)19-15/h1-2,6-7,10-12,18H,3-5,8-9H2/t10-,11+,12?.
What are the key properties of (1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
(1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 274.39 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-9-(1,3-benzothiazol-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 163310507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).