2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole

C14H15FN2S — CID 70116443

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole
SMILESFc1ccc2sc(C3CC4CCC(C3)N4)nc2c1
InChIInChI=1S/C14H15FN2S/c15-9-1-4-13-12(7-9)17-14(18-13)8-5-10-2-3-11(6-8)16-10/h1,4,7-8,10-11,16H,2-3,5-6H2
InChIKeyVRPCTZPCFDZYQS-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.43
Rot. Bonds1

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole

2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole (PubChem CID 70116443) has the molecular formula C14H15FN2S and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole
PubChem CID70116443
Molecular FormulaC14H15FN2S
Molecular Weight262.35 g/mol
Exact Mass262.09
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole
SMILESFc1ccc2sc(C3CC4CCC(C3)N4)nc2c1
InChIInChI=1S/C14H15FN2S/c15-9-1-4-13-12(7-9)17-14(18-13)8-5-10-2-3-11(6-8)16-10/h1,4,7-8,10-11,16H,2-3,5-6H2
InChIKeyVRPCTZPCFDZYQS-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole (CID 70116443) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole is Fc1ccc2sc(C3CC4CCC(C3)N4)nc2c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole?
The InChIKey is VRPCTZPCFDZYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2S/c15-9-1-4-13-12(7-9)17-14(18-13)8-5-10-2-3-11(6-8)16-10/h1,4,7-8,10-11,16H,2-3,5-6H2.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole?
2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole has a molecular weight of 262.35 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-5-fluoro-1,3-benzothiazole is sourced from PubChem (CID 70116443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).