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

C9H13N3OS — CID 65275451

IUPAC8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1ncns1
InChIInChI=1S/C9H13N3OS/c13-8-3-6-1-2-7(4-8)12(6)9-10-5-11-14-9/h5-8,13H,1-4H2
InChIKeyYEQDMEQVOILVNQ-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.03
Rot. Bonds1

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

8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 65275451) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID65275451
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2c1ncns1
InChIInChI=1S/C9H13N3OS/c13-8-3-6-1-2-7(4-8)12(6)9-10-5-11-14-9/h5-8,13H,1-4H2
InChIKeyYEQDMEQVOILVNQ-UHFFFAOYSA-N
XLogP1.03
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 65275451) is 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2c1ncns1.
What is the InChIKey of 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is YEQDMEQVOILVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c13-8-3-6-1-2-7(4-8)12(6)9-10-5-11-14-9/h5-8,13H,1-4H2.
What are the key properties of 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 211.29 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 65275451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).