5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazol-3-amine

C10H17N5S — CID 79170289

IUPAC5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazol-3-amine
SMILESCN1C2CCC1CN(c1nc(N)ns1)CC2
InChIInChI=1S/C10H17N5S/c1-14-7-2-3-8(14)6-15(5-4-7)10-12-9(11)13-16-10/h7-8H,2-6H2,1H3,(H2,11,13)
InChIKeyWPAPDELDEVDYIP-UHFFFAOYSA-N
MW239.35 g/mol
LogP0.79
Rot. Bonds1

About 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazol-3-amine

5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 79170289) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazol-3-amine
PubChem CID79170289
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC Name5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazol-3-amine
SMILESCN1C2CCC1CN(c1nc(N)ns1)CC2
InChIInChI=1S/C10H17N5S/c1-14-7-2-3-8(14)6-15(5-4-7)10-12-9(11)13-16-10/h7-8H,2-6H2,1H3,(H2,11,13)
InChIKeyWPAPDELDEVDYIP-UHFFFAOYSA-N
XLogP0.79
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazol-3-amine (CID 79170289) is 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazol-3-amine is CN1C2CCC1CN(c1nc(N)ns1)CC2.
What is the InChIKey of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is WPAPDELDEVDYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c1-14-7-2-3-8(14)6-15(5-4-7)10-12-9(11)13-16-10/h7-8H,2-6H2,1H3,(H2,11,13).
What are the key properties of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazol-3-amine?
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 239.35 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 79170289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).