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

C14H24N4S — CID 65471658

IUPACN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC2CC3CCCC(C2)N3C)n1
InChIInChI=1S/C14H24N4S/c1-9(2)13-16-14(19-17-13)15-10-7-11-5-4-6-12(8-10)18(11)3/h9-12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyOQBNJUIBMYYFNZ-UHFFFAOYSA-N
MW280.44 g/mol
LogP3.09
Rot. Bonds3

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

N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65471658) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65471658
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NC2CC3CCCC(C2)N3C)n1
InChIInChI=1S/C14H24N4S/c1-9(2)13-16-14(19-17-13)15-10-7-11-5-4-6-12(8-10)18(11)3/h9-12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyOQBNJUIBMYYFNZ-UHFFFAOYSA-N
XLogP3.09
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65471658) is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NC2CC3CCCC(C2)N3C)n1.
What is the InChIKey of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is OQBNJUIBMYYFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-9(2)13-16-14(19-17-13)15-10-7-11-5-4-6-12(8-10)18(11)3/h9-12H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 280.44 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65471658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).