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

C15H23N3OS — CID 119797595

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCN(C(=O)CC1CC2CCC(C1)N2)c1nc(C)cs1
InChIInChI=1S/C15H23N3OS/c1-3-18(15-16-10(2)9-20-15)14(19)8-11-6-12-4-5-13(7-11)17-12/h9,11-13,17H,3-8H2,1-2H3
InChIKeyHIEXCPHPJRSGLS-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.73
Rot. Bonds4

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

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 119797595) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID119797595
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCN(C(=O)CC1CC2CCC(C1)N2)c1nc(C)cs1
InChIInChI=1S/C15H23N3OS/c1-3-18(15-16-10(2)9-20-15)14(19)8-11-6-12-4-5-13(7-11)17-12/h9,11-13,17H,3-8H2,1-2H3
InChIKeyHIEXCPHPJRSGLS-UHFFFAOYSA-N
XLogP2.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116588403
N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
CID 119939621
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3,5-dimethylphenyl)-N-ethylacetamide;hydrochloride
CID 119743570
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide
CID 79607499
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 79611017
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 79614754
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892013
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methyl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
CID 119894159
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide;dihydrochloride
CID 119864909
2-(4-aminophenyl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119797578
(2S)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 119331534
(2R)-2-amino-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide;hydrochloride
CID 119331544

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 119797595) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is CCN(C(=O)CC1CC2CCC(C1)N2)c1nc(C)cs1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is HIEXCPHPJRSGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-3-18(15-16-10(2)9-20-15)14(19)8-11-6-12-4-5-13(7-11)17-12/h9,11-13,17H,3-8H2,1-2H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 293.44 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 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-ethyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 119797595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).