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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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).