3-(2-azabicyclo[2.2.1]heptan-1-yloxy)-4-[(1-methylcyclopropyl)methoxy]-1,2,5-thiadiazole

C13H19N3O2S — CID 150600885

IUPAC3-(2-azabicyclo[2.2.1]heptan-1-yloxy)-4-[(1-methylcyclopropyl)methoxy]-1,2,5-thiadiazole
SMILESCC1(COc2nsnc2OC23CCC(CN2)C3)CC1
InChIInChI=1S/C13H19N3O2S/c1-12(4-5-12)8-17-10-11(16-19-15-10)18-13-3-2-9(6-13)7-14-13/h9,14H,2-8H2,1H3
InChIKeyIRVUXNJYOHPWEQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.20
Rot. Bonds5

About 3-(2-azabicyclo[2.2.1]heptan-1-yloxy)-4-[(1-methylcyclopropyl)methoxy]-1,2,5-thiadiazole

3-(2-azabicyclo[2.2.1]heptan-1-yloxy)-4-[(1-methylcyclopropyl)methoxy]-1,2,5-thiadiazole (PubChem CID 150600885) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-1-yloxy)-4-[(1-methylcyclopropyl)methoxy]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-1-yloxy)-4-[(1-methylcyclopropyl)methoxy]-1,2,5-thiadiazole
PubChem CID150600885
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-1-yloxy)-4-[(1-methylcyclopropyl)methoxy]-1,2,5-thiadiazole
SMILESCC1(COc2nsnc2OC23CCC(CN2)C3)CC1
InChIInChI=1S/C13H19N3O2S/c1-12(4-5-12)8-17-10-11(16-19-15-10)18-13-3-2-9(6-13)7-14-13/h9,14H,2-8H2,1H3
InChIKeyIRVUXNJYOHPWEQ-UHFFFAOYSA-N
XLogP2.20
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-azabicyclo[2.2.1]heptan-1-yloxy)-4-[(1-methylcyclopropyl)methoxy]-1,2,5-thiadiazole 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 3-(2-azabicyclo[2.2.1]heptan-1-yloxy)-4-[(1-methylcyclopropyl)methoxy]-1,2,5-thiadiazole?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-1-yloxy)-4-[(1-methylcyclopropyl)methoxy]-1,2,5-thiadiazole (CID 150600885) is 3-(2-azabicyclo[2.2.1]heptan-1-yloxy)-4-[(1-methylcyclopropyl)methoxy]-1,2,5-thiadiazole.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-1-yloxy)-4-[(1-methylcyclopropyl)methoxy]-1,2,5-thiadiazole?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-1-yloxy)-4-[(1-methylcyclopropyl)methoxy]-1,2,5-thiadiazole is CC1(COc2nsnc2OC23CCC(CN2)C3)CC1.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-1-yloxy)-4-[(1-methylcyclopropyl)methoxy]-1,2,5-thiadiazole?
The InChIKey is IRVUXNJYOHPWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-12(4-5-12)8-17-10-11(16-19-15-10)18-13-3-2-9(6-13)7-14-13/h9,14H,2-8H2,1H3.
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-1-yloxy)-4-[(1-methylcyclopropyl)methoxy]-1,2,5-thiadiazole?
3-(2-azabicyclo[2.2.1]heptan-1-yloxy)-4-[(1-methylcyclopropyl)methoxy]-1,2,5-thiadiazole has a molecular weight of 281.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-1-yloxy)-4-[(1-methylcyclopropyl)methoxy]-1,2,5-thiadiazole is sourced from PubChem (CID 150600885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).