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

C9H13N3OS — CID 71449198

IUPAC5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole
SMILESCOc1nsc([C@H]2CN3CCC2C3)n1
InChIInChI=1S/C9H13N3OS/c1-13-9-10-8(14-11-9)7-5-12-3-2-6(7)4-12/h6-7H,2-5H2,1H3/t6?,7-/m0/s1
InChIKeyFNILSNTUQFNQFK-MLWJPKLSSA-N
MW211.29 g/mol
LogP0.97
Rot. Bonds2

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

5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole (PubChem CID 71449198) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole
PubChem CID71449198
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole
SMILESCOc1nsc([C@H]2CN3CCC2C3)n1
InChIInChI=1S/C9H13N3OS/c1-13-9-10-8(14-11-9)7-5-12-3-2-6(7)4-12/h6-7H,2-5H2,1H3/t6?,7-/m0/s1
InChIKeyFNILSNTUQFNQFK-MLWJPKLSSA-N
XLogP0.97
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole
CID 71449169
5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methyl-1,2,4-thiadiazole
CID 71451005
5-(1-Azabicyclo[2.2.2]octan-3-yl)-3-methoxy-1,2,4-thiadiazole
CID 14763536
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]-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
5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-cyclopropyl-1,2,4-thiadiazole
CID 71460023

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole?
The IUPAC name of 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole (CID 71449198) is 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole?
The canonical SMILES for 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole is COc1nsc([C@H]2CN3CCC2C3)n1.
What is the InChIKey of 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole?
The InChIKey is FNILSNTUQFNQFK-MLWJPKLSSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-13-9-10-8(14-11-9)7-5-12-3-2-6(7)4-12/h6-7H,2-5H2,1H3/t6?,7-/m0/s1.
What are the key properties of 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole?
5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole has a molecular weight of 211.29 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-methoxy-1,2,4-thiadiazole is sourced from PubChem (CID 71449198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).