8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine

C9H14N4S — CID 65275934

IUPAC8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2c1ncns1
InChIInChI=1S/C9H14N4S/c10-6-3-7-1-2-8(4-6)13(7)9-11-5-12-14-9/h5-8H,1-4,10H2
InChIKeyBMUAQILAPDSUMG-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.00
Rot. Bonds1

About 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine

8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 65275934) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID65275934
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2c1ncns1
InChIInChI=1S/C9H14N4S/c10-6-3-7-1-2-8(4-6)13(7)9-11-5-12-14-9/h5-8H,1-4,10H2
InChIKeyBMUAQILAPDSUMG-UHFFFAOYSA-N
XLogP1.00
TPSA55.04 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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine (CID 65275934) is 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2c1ncns1.
What is the InChIKey of 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is BMUAQILAPDSUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c10-6-3-7-1-2-8(4-6)13(7)9-11-5-12-14-9/h5-8H,1-4,10H2.
What are the key properties of 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 210.31 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2,4-thiadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 65275934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).