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

C12H18N4OS — CID 61233220

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylthiadiazole-5-carboxamide
SMILESCCN(C(=O)c1cnns1)C1CC2CCC(C1)N2
InChIInChI=1S/C12H18N4OS/c1-2-16(12(17)11-7-13-15-18-11)10-5-8-3-4-9(6-10)14-8/h7-10,14H,2-6H2,1H3
InChIKeyQPVZHEXZFYQZAT-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.28
Rot. Bonds3

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

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylthiadiazole-5-carboxamide (PubChem CID 61233220) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylthiadiazole-5-carboxamide
PubChem CID61233220
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylthiadiazole-5-carboxamide
SMILESCCN(C(=O)c1cnns1)C1CC2CCC(C1)N2
InChIInChI=1S/C12H18N4OS/c1-2-16(12(17)11-7-13-15-18-11)10-5-8-3-4-9(6-10)14-8/h7-10,14H,2-6H2,1H3
InChIKeyQPVZHEXZFYQZAT-UHFFFAOYSA-N
XLogP1.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Tert-butyl-3-[1-[1-(thiadiazole-5-carbonyl)piperidin-3-yl]ethyl]urea
CID 71930333
N-piperidin-4-ylthiadiazole-5-carboxamide
CID 43522675
N-(3-piperazin-1-ylpropyl)thiadiazole-5-carboxamide
CID 43522676
(4-Aminopiperidin-1-yl)-(thiadiazol-5-yl)methanone
CID 43556239
N-(3-azabicyclo[3.1.0]hexan-6-yl)thiadiazole-5-carboxamide
CID 43594283
N-(5-azaspiro[3.5]nonan-8-yl)thiadiazole-5-carboxamide
CID 43595166
N-(1-azaspiro[5.5]undecan-4-yl)thiadiazole-5-carboxamide
CID 43595661
N-methyl-N-piperidin-4-ylthiadiazole-5-carboxamide
CID 43602043
N-cyclohexylthiadiazole-5-carboxamide
CID 47259432
N-cyclooctylthiadiazole-5-carboxamide
CID 47259668
N-(1-methylpiperidin-4-yl)thiadiazole-5-carboxamide
CID 47293465
N-(1-tert-butylpiperidin-4-yl)thiadiazole-5-carboxamide
CID 47341065

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylthiadiazole-5-carboxamide (CID 61233220) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylthiadiazole-5-carboxamide is CCN(C(=O)c1cnns1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylthiadiazole-5-carboxamide?
The InChIKey is QPVZHEXZFYQZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-2-16(12(17)11-7-13-15-18-11)10-5-8-3-4-9(6-10)14-8/h7-10,14H,2-6H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylthiadiazole-5-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylthiadiazole-5-carboxamide has a molecular weight of 266.37 g/mol, XLogP of 1.28, 3 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-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 61233220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).