N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide

C13H19N3OS — CID 55145232

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1cscn1)C1CC2CCC(C1)N2
InChIInChI=1S/C13H19N3OS/c1-2-16(13(17)12-7-18-8-14-12)11-5-9-3-4-10(6-11)15-9/h7-11,15H,2-6H2,1H3
InChIKeyJAXLZEOWAUMDRN-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.89
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 55145232) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID55145232
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1cscn1)C1CC2CCC(C1)N2
InChIInChI=1S/C13H19N3OS/c1-2-16(13(17)12-7-18-8-14-12)11-5-9-3-4-10(6-11)15-9/h7-11,15H,2-6H2,1H3
InChIKeyJAXLZEOWAUMDRN-UHFFFAOYSA-N
XLogP1.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 63037041
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-2-carboxamide
CID 61230562
N-ethyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 63299155
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethylpyridine-4-carboxamide
CID 61230749
N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 102684545
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
CID 80537937
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-dimethylbenzamide
CID 61231900
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-5-nitrothiophene-3-carboxamide
CID 61231125
1-(8-azabicyclo[3.2.1]octan-3-yl)-1,3,3-triethylurea
CID 79161480
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3,4-difluorobenzamide
CID 61231707
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-bromo-N-ethyl-1H-pyrrole-2-carboxamide
CID 61230753
3-[cyclopropyl(1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 63024405

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide (CID 55145232) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide is CCN(C(=O)c1cscn1)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is JAXLZEOWAUMDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-2-16(13(17)12-7-18-8-14-12)11-5-9-3-4-10(6-11)15-9/h7-11,15H,2-6H2,1H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55145232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).