4-(8-azabicyclo[5.2.0]nonan-8-ylmethyl)-5-chlorothiadiazole

C11H16ClN3S — CID 71858464

IUPAC4-(8-azabicyclo[5.2.0]nonan-8-ylmethyl)-5-chlorothiadiazole
SMILESClc1snnc1CN1CC2CCCCCC21
InChIInChI=1S/C11H16ClN3S/c12-11-9(13-14-16-11)7-15-6-8-4-2-1-3-5-10(8)15/h8,10H,1-7H2
InChIKeyZFBNQTYBFJWFOR-UHFFFAOYSA-N
MW257.79 g/mol
LogP2.96
Rot. Bonds2

About 4-(8-azabicyclo[5.2.0]nonan-8-ylmethyl)-5-chlorothiadiazole

4-(8-azabicyclo[5.2.0]nonan-8-ylmethyl)-5-chlorothiadiazole (PubChem CID 71858464) has the molecular formula C11H16ClN3S and a molecular weight of 257.79 g/mol. Its IUPAC name is 4-(8-azabicyclo[5.2.0]nonan-8-ylmethyl)-5-chlorothiadiazole.

Molecular Properties

Compound Name4-(8-azabicyclo[5.2.0]nonan-8-ylmethyl)-5-chlorothiadiazole
PubChem CID71858464
Molecular FormulaC11H16ClN3S
Molecular Weight257.79 g/mol
Exact Mass257.08
IUPAC Name4-(8-azabicyclo[5.2.0]nonan-8-ylmethyl)-5-chlorothiadiazole
SMILESClc1snnc1CN1CC2CCCCCC21
InChIInChI=1S/C11H16ClN3S/c12-11-9(13-14-16-11)7-15-6-8-4-2-1-3-5-10(8)15/h8,10H,1-7H2
InChIKeyZFBNQTYBFJWFOR-UHFFFAOYSA-N
XLogP2.96
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 65320709
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CID 86966660
CID 86966660
CID 96535715
CID 96535715
CID 96535716
CID 96535716
CID 100575968
CID 100575968
CID 100575977
CID 100575977
CID 115599251
CID 115599251

Frequently Asked Questions

What is the IUPAC name of 4-(8-azabicyclo[5.2.0]nonan-8-ylmethyl)-5-chlorothiadiazole?
The IUPAC name of 4-(8-azabicyclo[5.2.0]nonan-8-ylmethyl)-5-chlorothiadiazole (CID 71858464) is 4-(8-azabicyclo[5.2.0]nonan-8-ylmethyl)-5-chlorothiadiazole.
What is the SMILES notation for 4-(8-azabicyclo[5.2.0]nonan-8-ylmethyl)-5-chlorothiadiazole?
The canonical SMILES for 4-(8-azabicyclo[5.2.0]nonan-8-ylmethyl)-5-chlorothiadiazole is Clc1snnc1CN1CC2CCCCCC21.
What is the InChIKey of 4-(8-azabicyclo[5.2.0]nonan-8-ylmethyl)-5-chlorothiadiazole?
The InChIKey is ZFBNQTYBFJWFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3S/c12-11-9(13-14-16-11)7-15-6-8-4-2-1-3-5-10(8)15/h8,10H,1-7H2.
What are the key properties of 4-(8-azabicyclo[5.2.0]nonan-8-ylmethyl)-5-chlorothiadiazole?
4-(8-azabicyclo[5.2.0]nonan-8-ylmethyl)-5-chlorothiadiazole has a molecular weight of 257.79 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azabicyclo[5.2.0]nonan-8-ylmethyl)-5-chlorothiadiazole is sourced from PubChem (CID 71858464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).