5-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine

C11H18N4S — CID 14763538

IUPAC5-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine
SMILESCN(C)c1nsc(C2CN3CCC2CC3)n1
InChIInChI=1S/C11H18N4S/c1-14(2)11-12-10(16-13-11)9-7-15-5-3-8(9)4-6-15/h8-9H,3-7H2,1-2H3
InChIKeyIWMZRZQWHRTGJM-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.41
Rot. Bonds2

About 5-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine

5-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine (PubChem CID 14763538) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine
PubChem CID14763538
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine
SMILESCN(C)c1nsc(C2CN3CCC2CC3)n1
InChIInChI=1S/C11H18N4S/c1-14(2)11-12-10(16-13-11)9-7-15-5-3-8(9)4-6-15/h8-9H,3-7H2,1-2H3
InChIKeyIWMZRZQWHRTGJM-UHFFFAOYSA-N
XLogP1.41
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine (CID 14763538) is 5-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine is CN(C)c1nsc(C2CN3CCC2CC3)n1.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
The InChIKey is IWMZRZQWHRTGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-14(2)11-12-10(16-13-11)9-7-15-5-3-8(9)4-6-15/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine?
5-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine has a molecular weight of 238.36 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-yl)-N,N-dimethyl-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 14763538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).