8-(5-bromo-1,3,4-thiadiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

C9H12BrN3OS — CID 64623292

IUPAC8-(5-bromo-1,3,4-thiadiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1nnc(Br)s1
InChIInChI=1S/C9H12BrN3OS/c10-8-11-12-9(15-8)13-5-1-2-6(13)4-7(14)3-5/h5-7,14H,1-4H2
InChIKeyMVKDQDBORABYAV-UHFFFAOYSA-N
MW290.19 g/mol
LogP1.79
Rot. Bonds1

About 8-(5-bromo-1,3,4-thiadiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

8-(5-bromo-1,3,4-thiadiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 64623292) has the molecular formula C9H12BrN3OS and a molecular weight of 290.19 g/mol. Its IUPAC name is 8-(5-bromo-1,3,4-thiadiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(5-bromo-1,3,4-thiadiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID64623292
Molecular FormulaC9H12BrN3OS
Molecular Weight290.19 g/mol
Exact Mass288.99
IUPAC Name8-(5-bromo-1,3,4-thiadiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1nnc(Br)s1
InChIInChI=1S/C9H12BrN3OS/c10-8-11-12-9(15-8)13-5-1-2-6(13)4-7(14)3-5/h5-7,14H,1-4H2
InChIKeyMVKDQDBORABYAV-UHFFFAOYSA-N
XLogP1.79
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(5-bromo-1,3,4-thiadiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(5-bromo-1,3,4-thiadiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 64623292) is 8-(5-bromo-1,3,4-thiadiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(5-bromo-1,3,4-thiadiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(5-bromo-1,3,4-thiadiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2c1nnc(Br)s1.
What is the InChIKey of 8-(5-bromo-1,3,4-thiadiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is MVKDQDBORABYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3OS/c10-8-11-12-9(15-8)13-5-1-2-6(13)4-7(14)3-5/h5-7,14H,1-4H2.
What are the key properties of 8-(5-bromo-1,3,4-thiadiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(5-bromo-1,3,4-thiadiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 290.19 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-bromo-1,3,4-thiadiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 64623292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).