5-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole

C12H19N3S — CID 14763530

IUPAC5-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(C2CN3CCC2CC3)n1
InChIInChI=1S/C12H19N3S/c1-8(2)11-13-12(16-14-11)10-7-15-5-3-9(10)4-6-15/h8-10H,3-7H2,1-2H3
InChIKeyZSBASMGYELNAMD-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.47
Rot. Bonds2

About 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole

5-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 14763530) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID14763530
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(C2CN3CCC2CC3)n1
InChIInChI=1S/C12H19N3S/c1-8(2)11-13-12(16-14-11)10-7-15-5-3-9(10)4-6-15/h8-10H,3-7H2,1-2H3
InChIKeyZSBASMGYELNAMD-UHFFFAOYSA-N
XLogP2.47
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole (CID 14763530) is 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(C2CN3CCC2CC3)n1.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is ZSBASMGYELNAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-8(2)11-13-12(16-14-11)10-7-15-5-3-9(10)4-6-15/h8-10H,3-7H2,1-2H3.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole?
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 237.37 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 14763530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).