N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylthiadiazole-5-carboxamide

C11H16N4OS — CID 61231435

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylthiadiazole-5-carboxamide
SMILESCN(C(=O)c1cnns1)C1CC2CCC(C1)N2
InChIInChI=1S/C11H16N4OS/c1-15(11(16)10-6-12-14-17-10)9-4-7-2-3-8(5-9)13-7/h6-9,13H,2-5H2,1H3
InChIKeyDRXFDUSCFKNQFD-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.89
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylthiadiazole-5-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylthiadiazole-5-carboxamide (PubChem CID 61231435) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylthiadiazole-5-carboxamide
PubChem CID61231435
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylthiadiazole-5-carboxamide
SMILESCN(C(=O)c1cnns1)C1CC2CCC(C1)N2
InChIInChI=1S/C11H16N4OS/c1-15(11(16)10-6-12-14-17-10)9-4-7-2-3-8(5-9)13-7/h6-9,13H,2-5H2,1H3
InChIKeyDRXFDUSCFKNQFD-UHFFFAOYSA-N
XLogP0.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylthiadiazole-5-carboxamide (CID 61231435) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylthiadiazole-5-carboxamide is CN(C(=O)c1cnns1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylthiadiazole-5-carboxamide?
The InChIKey is DRXFDUSCFKNQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c1-15(11(16)10-6-12-14-17-10)9-4-7-2-3-8(5-9)13-7/h6-9,13H,2-5H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylthiadiazole-5-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylthiadiazole-5-carboxamide has a molecular weight of 252.34 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 61231435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).