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

C13H22N4S — CID 71924187

IUPAC5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCC3CCC(C2)N3C)n1
InChIInChI=1S/C13H22N4S/c1-9(2)12-14-13(18-15-12)17-7-6-10-4-5-11(8-17)16(10)3/h9-11H,4-8H2,1-3H3
InChIKeyJEOPBQWNLPFDDC-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.33
Rot. Bonds2

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

5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 71924187) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID71924187
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole
SMILESCC(C)c1nsc(N2CCC3CCC(C2)N3C)n1
InChIInChI=1S/C13H22N4S/c1-9(2)12-14-13(18-15-12)17-7-6-10-4-5-11(8-17)16(10)3/h9-11H,4-8H2,1-3H3
InChIKeyJEOPBQWNLPFDDC-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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)-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole (CID 71924187) is 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole is CC(C)c1nsc(N2CCC3CCC(C2)N3C)n1.
What is the InChIKey of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is JEOPBQWNLPFDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-9(2)12-14-13(18-15-12)17-7-6-10-4-5-11(8-17)16(10)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole?
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 266.41 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 71924187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).