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

C10H14N4OS — CID 61237734

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)thiadiazole-5-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cnns1
InChIInChI=1S/C10H14N4OS/c15-10(9-5-11-14-16-9)13-8-3-6-1-2-7(4-8)12-6/h5-8,12H,1-4H2,(H,13,15)
InChIKeyVAYWFHBEVYTKAD-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.55
Rot. Bonds2

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

N-(8-azabicyclo[3.2.1]octan-3-yl)thiadiazole-5-carboxamide (PubChem CID 61237734) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)thiadiazole-5-carboxamide
PubChem CID61237734
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)thiadiazole-5-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)c1cnns1
InChIInChI=1S/C10H14N4OS/c15-10(9-5-11-14-16-9)13-8-3-6-1-2-7(4-8)12-6/h5-8,12H,1-4H2,(H,13,15)
InChIKeyVAYWFHBEVYTKAD-UHFFFAOYSA-N
XLogP0.55
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
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)thiadiazole-5-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)thiadiazole-5-carboxamide (CID 61237734) is N-(8-azabicyclo[3.2.1]octan-3-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)thiadiazole-5-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)thiadiazole-5-carboxamide is O=C(NC1CC2CCC(C1)N2)c1cnns1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)thiadiazole-5-carboxamide?
The InChIKey is VAYWFHBEVYTKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c15-10(9-5-11-14-16-9)13-8-3-6-1-2-7(4-8)12-6/h5-8,12H,1-4H2,(H,13,15).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)thiadiazole-5-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)thiadiazole-5-carboxamide has a molecular weight of 238.32 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 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)thiadiazole-5-carboxamide is sourced from PubChem (CID 61237734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).