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

C10H16N4S — CID 71451006

IUPAC5-[(3R)-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-/m0/s1
InChIKeySWFJBFXFQINMDV-MQWKRIRWSA-N
MW224.33 g/mol
LogP1.02
Rot. Bonds2

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

5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine (PubChem CID 71451006) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
PubChem CID71451006
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name5-[(3R)-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-/m0/s1
InChIKeySWFJBFXFQINMDV-MQWKRIRWSA-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-[(3R)-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-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 14763567
5-(1-azabicyclo[2.2.1]heptan-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 19886304
3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19784182
(3R)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71454461
(3R)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71458009
4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine
CID 19018574
(3R,4R)-3-(3-propan-2-ylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 15750216
3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19432891
(3R,4R)-3-(3-propylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 15750214
5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole
CID 21476654
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 70384934
3-N,3-N-dimethyl-1,2,4-thiadiazole-3,5-diamine
CID 14359128

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine (CID 71451006) is 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-[(3R)-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-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
The InChIKey is SWFJBFXFQINMDV-MQWKRIRWSA-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-/m0/s1.
What are the key properties of 5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
5-[(3R)-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-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 71451006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).