2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide

C13H19N3O2S — CID 106381324

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCc1csc(=O)[nH]1
InChIInChI=1S/C13H19N3O2S/c17-12(14-6-11-7-19-13(18)16-11)5-8-3-9-1-2-10(4-8)15-9/h7-10,15H,1-6H2,(H,14,17)(H,16,18)
InChIKeyYIGKKQGCEBHLNX-UHFFFAOYSA-N
MW281.38 g/mol
LogP0.97
Rot. Bonds4

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 106381324) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID106381324
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCc1csc(=O)[nH]1
InChIInChI=1S/C13H19N3O2S/c17-12(14-6-11-7-19-13(18)16-11)5-8-3-9-1-2-10(4-8)15-9/h7-10,15H,1-6H2,(H,14,17)(H,16,18)
InChIKeyYIGKKQGCEBHLNX-UHFFFAOYSA-N
XLogP0.97
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119679299
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]propanamide
CID 103775054
4-[(7-azabicyclo[2.2.1]heptan-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
CID 106381785
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2,3-dimethyl-1H-indol-5-yl)methyl]acetamide
CID 119754604
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
CID 114181942
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 79615311
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 79607925
5-oxo-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pentanoic acid
CID 106379556
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide
CID 119813696
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119679698
N-[(4-acetamidophenyl)methyl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119700898
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride
CID 119813695

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide (CID 106381324) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide is O=C(CC1CC2CCC(C1)N2)NCc1csc(=O)[nH]1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is YIGKKQGCEBHLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-12(14-6-11-7-19-13(18)16-11)5-8-3-9-1-2-10(4-8)15-9/h7-10,15H,1-6H2,(H,14,17)(H,16,18).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 281.38 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 106381324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).