5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-1,2,4-thiadiazole

C8H11N3S — CID 71461702

IUPAC5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-1,2,4-thiadiazole
SMILESc1nsc([C@@H]2CN3CCC2C3)n1
InChIInChI=1S/C8H11N3S/c1-2-11-3-6(1)7(4-11)8-9-5-10-12-8/h5-7H,1-4H2/t6?,7-/m1/s1
InChIKeyDMEVOZWUDRGXOT-COBSHVIPSA-N
MW181.26 g/mol
LogP0.96
Rot. Bonds1

About 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-1,2,4-thiadiazole

5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-1,2,4-thiadiazole (PubChem CID 71461702) has the molecular formula C8H11N3S and a molecular weight of 181.26 g/mol. Its IUPAC name is 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-1,2,4-thiadiazole
PubChem CID71461702
Molecular FormulaC8H11N3S
Molecular Weight181.26 g/mol
Exact Mass181.07
IUPAC Name5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-1,2,4-thiadiazole
SMILESc1nsc([C@@H]2CN3CCC2C3)n1
InChIInChI=1S/C8H11N3S/c1-2-11-3-6(1)7(4-11)8-9-5-10-12-8/h5-7H,1-4H2/t6?,7-/m1/s1
InChIKeyDMEVOZWUDRGXOT-COBSHVIPSA-N
XLogP0.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-1,2,4-thiadiazole?
The IUPAC name of 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-1,2,4-thiadiazole (CID 71461702) is 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-1,2,4-thiadiazole?
The canonical SMILES for 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-1,2,4-thiadiazole is c1nsc([C@@H]2CN3CCC2C3)n1.
What is the InChIKey of 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-1,2,4-thiadiazole?
The InChIKey is DMEVOZWUDRGXOT-COBSHVIPSA-N. The full InChI is InChI=1S/C8H11N3S/c1-2-11-3-6(1)7(4-11)8-9-5-10-12-8/h5-7H,1-4H2/t6?,7-/m1/s1.
What are the key properties of 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-1,2,4-thiadiazole?
5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-1,2,4-thiadiazole has a molecular weight of 181.26 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 71461702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).