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

C9H13N3S — CID 71449169

IUPAC5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc([C@@H]2CN3CCC2C3)n1
InChIInChI=1S/C9H13N3S/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3/t7?,8-/m1/s1
InChIKeyPXJWPCMAUXXZOD-BRFYHDHCSA-N
MW195.29 g/mol
LogP1.27
Rot. Bonds1

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

5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole (PubChem CID 71449169) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole
PubChem CID71449169
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole
SMILESCc1nsc([C@@H]2CN3CCC2C3)n1
InChIInChI=1S/C9H13N3S/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3/t7?,8-/m1/s1
InChIKeyPXJWPCMAUXXZOD-BRFYHDHCSA-N
XLogP1.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-Azabicyclo[2.2.2]octan-3-yl)-3-methyl-1,2,4-thiadiazole
CID 14763526
5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole
CID 71451005
3-Methyl-5-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazole
CID 14763515
5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 71449170
5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole
CID 71449198
5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
CID 71451006
5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 71452811
5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole
CID 71454587
5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
CID 71456289
5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole
CID 71456290
5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyclopropyl-1,2,4-thiadiazole
CID 71458110
5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-ethyl-1,2,4-thiadiazole
CID 71459991

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole?
The IUPAC name of 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole (CID 71449169) is 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole is Cc1nsc([C@@H]2CN3CCC2C3)n1.
What is the InChIKey of 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole?
The InChIKey is PXJWPCMAUXXZOD-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H13N3S/c1-6-10-9(13-11-6)8-5-12-3-2-7(8)4-12/h7-8H,2-5H2,1H3/t7?,8-/m1/s1.
What are the key properties of 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole?
5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole has a molecular weight of 195.29 g/mol, XLogP of 1.27, 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]-3-methyl-1,2,4-thiadiazole is sourced from PubChem (CID 71449169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).