3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine

C14H22N4S — CID 65472416

IUPAC3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCN1C2CCCC1CC(Nc1nc(C3CC3)ns1)C2
InChIInChI=1S/C14H22N4S/c1-18-11-3-2-4-12(18)8-10(7-11)15-14-16-13(17-19-14)9-5-6-9/h9-12H,2-8H2,1H3,(H,15,16,17)
InChIKeyOIAFZCIAYPZFOX-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.84
Rot. Bonds3

About 3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine (PubChem CID 65472416) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine
PubChem CID65472416
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine
SMILESCN1C2CCCC1CC(Nc1nc(C3CC3)ns1)C2
InChIInChI=1S/C14H22N4S/c1-18-11-3-2-4-12(18)8-10(7-11)15-14-16-13(17-19-14)9-5-6-9/h9-12H,2-8H2,1H3,(H,15,16,17)
InChIKeyOIAFZCIAYPZFOX-UHFFFAOYSA-N
XLogP2.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

N-cyclopropyl-3-[2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-1,2,4-thiadiazol-5-amine
CID 89752770
3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305013
1-(3-Isopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 65274370
1-(3-Isopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine hydrochloride
CID 89542870
N-(1-ethylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267513
3-methyl-N-(1-methylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267974
3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 65268257
3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 65268264
3-[4-(3-Cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]pentan-1-amine
CID 65270342
N'-cyclohexyl-N'-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270651

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine (CID 65472416) is 3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine is CN1C2CCCC1CC(Nc1nc(C3CC3)ns1)C2.
What is the InChIKey of 3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine?
The InChIKey is OIAFZCIAYPZFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-18-11-3-2-4-12(18)8-10(7-11)15-14-16-13(17-19-14)9-5-6-9/h9-12H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine has a molecular weight of 278.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65472416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).