3-cyclopropyl-5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2,4-thiadiazole

C13H19N3OS — CID 122269130

IUPAC3-cyclopropyl-5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2,4-thiadiazole
SMILESCOC1CC2CCC(C1)N2c1nc(C2CC2)ns1
InChIInChI=1S/C13H19N3OS/c1-17-11-6-9-4-5-10(7-11)16(9)13-14-12(15-18-13)8-2-3-8/h8-11H,2-7H2,1H3
InChIKeyXZKCZLXXRLJZKB-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.56
Rot. Bonds3

About 3-cyclopropyl-5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2,4-thiadiazole

3-cyclopropyl-5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2,4-thiadiazole (PubChem CID 122269130) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 3-cyclopropyl-5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2,4-thiadiazole
PubChem CID122269130
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name3-cyclopropyl-5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2,4-thiadiazole
SMILESCOC1CC2CCC(C1)N2c1nc(C2CC2)ns1
InChIInChI=1S/C13H19N3OS/c1-17-11-6-9-4-5-10(7-11)16(9)13-14-12(15-18-13)8-2-3-8/h8-11H,2-7H2,1H3
InChIKeyXZKCZLXXRLJZKB-UHFFFAOYSA-N
XLogP2.56
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2,4-thiadiazole (CID 122269130) is 3-cyclopropyl-5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2,4-thiadiazole is COC1CC2CCC(C1)N2c1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2,4-thiadiazole?
The InChIKey is XZKCZLXXRLJZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-17-11-6-9-4-5-10(7-11)16(9)13-14-12(15-18-13)8-2-3-8/h8-11H,2-7H2,1H3.
What are the key properties of 3-cyclopropyl-5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2,4-thiadiazole?
3-cyclopropyl-5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2,4-thiadiazole has a molecular weight of 265.38 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 122269130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).