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

C12H19N3O2S — CID 166604563

IUPAC8-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOCCc1nsc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C12H19N3O2S/c1-17-5-4-11-13-12(18-14-11)15-8-2-3-9(15)7-10(16)6-8/h8-10,16H,2-7H2,1H3
InChIKeyHWDXYSLDBWHNIA-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.22
Rot. Bonds4

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

8-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 166604563) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 8-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID166604563
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name8-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOCCc1nsc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C12H19N3O2S/c1-17-5-4-11-13-12(18-14-11)15-8-2-3-9(15)7-10(16)6-8/h8-10,16H,2-7H2,1H3
InChIKeyHWDXYSLDBWHNIA-UHFFFAOYSA-N
XLogP1.22
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol (CID 166604563) is 8-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol is COCCc1nsc(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is HWDXYSLDBWHNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-17-5-4-11-13-12(18-14-11)15-8-2-3-9(15)7-10(16)6-8/h8-10,16H,2-7H2,1H3.
What are the key properties of 8-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 269.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 166604563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).