3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

C14H24N4S — CID 112681785

IUPAC3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(C2CC3CCC(C2)N3C)ns1
InChIInChI=1S/C14H24N4S/c1-9(2)8-15-14-16-13(17-19-14)10-6-11-4-5-12(7-10)18(11)3/h9-12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyJIDOMJOOFNPKIX-UHFFFAOYSA-N
MW280.44 g/mol
LogP2.95
Rot. Bonds4

About 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 112681785) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID112681785
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1nc(C2CC3CCC(C2)N3C)ns1
InChIInChI=1S/C14H24N4S/c1-9(2)8-15-14-16-13(17-19-14)10-6-11-4-5-12(7-10)18(11)3/h9-12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyJIDOMJOOFNPKIX-UHFFFAOYSA-N
XLogP2.95
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 112681785) is 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is CC(C)CNc1nc(C2CC3CCC(C2)N3C)ns1.
What is the InChIKey of 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JIDOMJOOFNPKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-9(2)8-15-14-16-13(17-19-14)10-6-11-4-5-12(7-10)18(11)3/h9-12H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 280.44 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 112681785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).