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

C15H24N4S — CID 71924186

IUPAC3-cyclopropyl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole
SMILESCC(C)N1C2CCC1CN(c1nc(C3CC3)ns1)CC2
InChIInChI=1S/C15H24N4S/c1-10(2)19-12-5-6-13(19)9-18(8-7-12)15-16-14(17-20-15)11-3-4-11/h10-13H,3-9H2,1-2H3
InChIKeyXSIJJJYJJMYLGA-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.87
Rot. Bonds3

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

3-cyclopropyl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole (PubChem CID 71924186) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-cyclopropyl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole
PubChem CID71924186
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name3-cyclopropyl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole
SMILESCC(C)N1C2CCC1CN(c1nc(C3CC3)ns1)CC2
InChIInChI=1S/C15H24N4S/c1-10(2)19-12-5-6-13(19)9-18(8-7-12)15-16-14(17-20-15)11-3-4-11/h10-13H,3-9H2,1-2H3
InChIKeyXSIJJJYJJMYLGA-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole?
The IUPAC name of 3-cyclopropyl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole (CID 71924186) is 3-cyclopropyl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole?
The canonical SMILES for 3-cyclopropyl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole is CC(C)N1C2CCC1CN(c1nc(C3CC3)ns1)CC2.
What is the InChIKey of 3-cyclopropyl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole?
The InChIKey is XSIJJJYJJMYLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S/c1-10(2)19-12-5-6-13(19)9-18(8-7-12)15-16-14(17-20-15)11-3-4-11/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole?
3-cyclopropyl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole has a molecular weight of 292.45 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-1,2,4-thiadiazole is sourced from PubChem (CID 71924186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).