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

C13H20N4OS — CID 61230945

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylthiadiazole-5-carboxamide
SMILESCCCN(C(=O)c1cnns1)C1CC2CCC(C1)N2
InChIInChI=1S/C13H20N4OS/c1-2-5-17(13(18)12-8-14-16-19-12)11-6-9-3-4-10(7-11)15-9/h8-11,15H,2-7H2,1H3
InChIKeyKQEBCEFRGMCERK-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.67
Rot. Bonds4

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylthiadiazole-5-carboxamide (PubChem CID 61230945) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylthiadiazole-5-carboxamide
PubChem CID61230945
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylthiadiazole-5-carboxamide
SMILESCCCN(C(=O)c1cnns1)C1CC2CCC(C1)N2
InChIInChI=1S/C13H20N4OS/c1-2-5-17(13(18)12-8-14-16-19-12)11-6-9-3-4-10(7-11)15-9/h8-11,15H,2-7H2,1H3
InChIKeyKQEBCEFRGMCERK-UHFFFAOYSA-N
XLogP1.67
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.67
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-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylthiadiazole-5-carboxamide (CID 61230945) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylthiadiazole-5-carboxamide is CCCN(C(=O)c1cnns1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylthiadiazole-5-carboxamide?
The InChIKey is KQEBCEFRGMCERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-2-5-17(13(18)12-8-14-16-19-12)11-6-9-3-4-10(7-11)15-9/h8-11,15H,2-7H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylthiadiazole-5-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propylthiadiazole-5-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 1.67, 4 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-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 61230945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).