4-(1,4-diazabicyclo[3.2.2]nonan-2-yl)thiadiazole

C9H14N4S — CID 67481134

IUPAC4-(1,4-diazabicyclo[3.2.2]nonan-2-yl)thiadiazole
SMILESc1snnc1C1CNC2CCN1CC2
InChIInChI=1S/C9H14N4S/c1-3-13-4-2-7(1)10-5-9(13)8-6-14-12-11-8/h6-7,9-10H,1-5H2
InChIKeyXVRZVKJAQPSTRN-UHFFFAOYSA-N
MW210.31 g/mol
LogP0.65
Rot. Bonds1

About 4-(1,4-diazabicyclo[3.2.2]nonan-2-yl)thiadiazole

4-(1,4-diazabicyclo[3.2.2]nonan-2-yl)thiadiazole (PubChem CID 67481134) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 4-(1,4-diazabicyclo[3.2.2]nonan-2-yl)thiadiazole.

Molecular Properties

Compound Name4-(1,4-diazabicyclo[3.2.2]nonan-2-yl)thiadiazole
PubChem CID67481134
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name4-(1,4-diazabicyclo[3.2.2]nonan-2-yl)thiadiazole
SMILESc1snnc1C1CNC2CCN1CC2
InChIInChI=1S/C9H14N4S/c1-3-13-4-2-7(1)10-5-9(13)8-6-14-12-11-8/h6-7,9-10H,1-5H2
InChIKeyXVRZVKJAQPSTRN-UHFFFAOYSA-N
XLogP0.65
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazabicyclo[3.2.2]nonan-2-yl)thiadiazole?
The IUPAC name of 4-(1,4-diazabicyclo[3.2.2]nonan-2-yl)thiadiazole (CID 67481134) is 4-(1,4-diazabicyclo[3.2.2]nonan-2-yl)thiadiazole.
What is the SMILES notation for 4-(1,4-diazabicyclo[3.2.2]nonan-2-yl)thiadiazole?
The canonical SMILES for 4-(1,4-diazabicyclo[3.2.2]nonan-2-yl)thiadiazole is c1snnc1C1CNC2CCN1CC2.
What is the InChIKey of 4-(1,4-diazabicyclo[3.2.2]nonan-2-yl)thiadiazole?
The InChIKey is XVRZVKJAQPSTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-3-13-4-2-7(1)10-5-9(13)8-6-14-12-11-8/h6-7,9-10H,1-5H2.
What are the key properties of 4-(1,4-diazabicyclo[3.2.2]nonan-2-yl)thiadiazole?
4-(1,4-diazabicyclo[3.2.2]nonan-2-yl)thiadiazole has a molecular weight of 210.31 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazabicyclo[3.2.2]nonan-2-yl)thiadiazole is sourced from PubChem (CID 67481134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).