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

C13H21N3OS — CID 65275452

IUPAC8-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)c1nsc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)11-14-12(18-15-11)16-8-4-5-9(16)7-10(17)6-8/h8-10,17H,4-7H2,1-3H3
InChIKeyUOUCFAWJTKFSNX-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.33
Rot. Bonds1

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

8-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 65275452) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 8-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID65275452
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name8-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)c1nsc(N2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H21N3OS/c1-13(2,3)11-14-12(18-15-11)16-8-4-5-9(16)7-10(17)6-8/h8-10,17H,4-7H2,1-3H3
InChIKeyUOUCFAWJTKFSNX-UHFFFAOYSA-N
XLogP2.33
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 65275452) is 8-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is CC(C)(C)c1nsc(N2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is UOUCFAWJTKFSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-13(2,3)11-14-12(18-15-11)16-8-4-5-9(16)7-10(17)6-8/h8-10,17H,4-7H2,1-3H3.
What are the key properties of 8-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 267.40 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 65275452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).