2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methylacetamide

C16H25N3OS — CID 119896858

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methylacetamide
SMILESCCc1cnc(CN(C)C(=O)CC2CC3CCC(C2)N3)s1
InChIInChI=1S/C16H25N3OS/c1-3-14-9-17-15(21-14)10-19(2)16(20)8-11-6-12-4-5-13(7-11)18-12/h9,11-13,18H,3-8,10H2,1-2H3
InChIKeyNOBGFZNUVOGEKP-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.58
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methylacetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methylacetamide (PubChem CID 119896858) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methylacetamide
PubChem CID119896858
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methylacetamide
SMILESCCc1cnc(CN(C)C(=O)CC2CC3CCC(C2)N3)s1
InChIInChI=1S/C16H25N3OS/c1-3-14-9-17-15(21-14)10-19(2)16(20)8-11-6-12-4-5-13(7-11)18-12/h9,11-13,18H,3-8,10H2,1-2H3
InChIKeyNOBGFZNUVOGEKP-UHFFFAOYSA-N
XLogP2.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119896878
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide;dihydrochloride
CID 119864909
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 119813017
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)acetamide
CID 119884783
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 79610089
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid
CID 79607520
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(3-hydroxyphenyl)methyl]-N-methylacetamide
CID 79610332
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]acetamide;dihydrochloride
CID 119836459
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-pentylacetamide
CID 79607336
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 79610320
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 138044444
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide;hydrochloride
CID 119726228

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methylacetamide (CID 119896858) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methylacetamide is CCc1cnc(CN(C)C(=O)CC2CC3CCC(C2)N3)s1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methylacetamide?
The InChIKey is NOBGFZNUVOGEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-3-14-9-17-15(21-14)10-19(2)16(20)8-11-6-12-4-5-13(7-11)18-12/h9,11-13,18H,3-8,10H2,1-2H3.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methylacetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methylacetamide has a molecular weight of 307.46 g/mol, XLogP of 2.58, 5 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-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 119896858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).