2-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,4-oxadiazole

C11H14N6OS — CID 10356202

IUPAC2-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,4-oxadiazole
SMILESc1nnc(-c2nnc(N3CCN4CCC3CC4)s2)o1
InChIInChI=1S/C11H14N6OS/c1-3-16-4-2-8(1)17(6-5-16)11-15-14-10(19-11)9-13-12-7-18-9/h7-8H,1-6H2
InChIKeyWVLDRERFJNMYJF-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.87
Rot. Bonds2

About 2-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,4-oxadiazole

2-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,4-oxadiazole (PubChem CID 10356202) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 2-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,4-oxadiazole
PubChem CID10356202
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC Name2-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,4-oxadiazole
SMILESc1nnc(-c2nnc(N3CCN4CCC3CC4)s2)o1
InChIInChI=1S/C11H14N6OS/c1-3-16-4-2-8(1)17(6-5-16)11-15-14-10(19-11)9-13-12-7-18-9/h7-8H,1-6H2
InChIKeyWVLDRERFJNMYJF-UHFFFAOYSA-N
XLogP0.87
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,4-oxadiazole (CID 10356202) is 2-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,4-oxadiazole is c1nnc(-c2nnc(N3CCN4CCC3CC4)s2)o1.
What is the InChIKey of 2-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,4-oxadiazole?
The InChIKey is WVLDRERFJNMYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-3-16-4-2-8(1)17(6-5-16)11-15-14-10(19-11)9-13-12-7-18-9/h7-8H,1-6H2.
What are the key properties of 2-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,4-oxadiazole?
2-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,4-oxadiazole has a molecular weight of 278.34 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-thiadiazol-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 10356202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).