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

C10H13FN2S — CID 130604819

IUPAC3-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazole
SMILESFC1(c2ccsn2)CC2CCC(C1)N2
InChIInChI=1S/C10H13FN2S/c11-10(9-3-4-14-13-9)5-7-1-2-8(6-10)12-7/h3-4,7-8,12H,1-2,5-6H2
InChIKeyXREWWPBHXXKBBZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.22
Rot. Bonds1

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

3-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazole (PubChem CID 130604819) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazole.

Molecular Properties

Compound Name3-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazole
PubChem CID130604819
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name3-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazole
SMILESFC1(c2ccsn2)CC2CCC(C1)N2
InChIInChI=1S/C10H13FN2S/c11-10(9-3-4-14-13-9)5-7-1-2-8(6-10)12-7/h3-4,7-8,12H,1-2,5-6H2
InChIKeyXREWWPBHXXKBBZ-UHFFFAOYSA-N
XLogP2.22
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazole?
The IUPAC name of 3-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazole (CID 130604819) is 3-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazole.
What is the SMILES notation for 3-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazole?
The canonical SMILES for 3-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazole is FC1(c2ccsn2)CC2CCC(C1)N2.
What is the InChIKey of 3-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazole?
The InChIKey is XREWWPBHXXKBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S/c11-10(9-3-4-14-13-9)5-7-1-2-8(6-10)12-7/h3-4,7-8,12H,1-2,5-6H2.
What are the key properties of 3-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazole?
3-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazole has a molecular weight of 212.29 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-8-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazole is sourced from PubChem (CID 130604819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).