5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine

C10H16N4S — CID 71456289

IUPAC5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
SMILESCN(C)c1nsc([C@@H]2CN3CCC2C3)n1
InChIInChI=1S/C10H16N4S/c1-13(2)10-11-9(15-12-10)8-6-14-4-3-7(8)5-14/h7-8H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeySWFJBFXFQINMDV-BRFYHDHCSA-N
MW224.33 g/mol
LogP1.02
Rot. Bonds2

About 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine

5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine (PubChem CID 71456289) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
PubChem CID71456289
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
SMILESCN(C)c1nsc([C@@H]2CN3CCC2C3)n1
InChIInChI=1S/C10H16N4S/c1-13(2)10-11-9(15-12-10)8-6-14-4-3-7(8)5-14/h7-8H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeySWFJBFXFQINMDV-BRFYHDHCSA-N
XLogP1.02
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine with MolForge

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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)-N,N-dimethyl-1,2,4-thiadiazol-3-amine
CID 14763538
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]-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-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine (CID 71456289) is 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine is CN(C)c1nsc([C@@H]2CN3CCC2C3)n1.
What is the InChIKey of 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
The InChIKey is SWFJBFXFQINMDV-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H16N4S/c1-13(2)10-11-9(15-12-10)8-6-14-4-3-7(8)5-14/h7-8H,3-6H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine has a molecular weight of 224.33 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 71456289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).