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

C14H20N2OS — CID 112680639

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)C2CC3CCC(C2)N3C)cs1
InChIInChI=1S/C14H20N2OS/c1-9-15-11(8-18-9)7-14(17)10-5-12-3-4-13(6-10)16(12)2/h8,10,12-13H,3-7H2,1-2H3
InChIKeyLBLOTDFHNQZMJR-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.44
Rot. Bonds3

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

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 112680639) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID112680639
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)C2CC3CCC(C2)N3C)cs1
InChIInChI=1S/C14H20N2OS/c1-9-15-11(8-18-9)7-14(17)10-5-12-3-4-13(6-10)16(12)2/h8,10,12-13H,3-7H2,1-2H3
InChIKeyLBLOTDFHNQZMJR-UHFFFAOYSA-N
XLogP2.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-cyclooctyl-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 80602505
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 54898941
1-(azepan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116582673
2-[8-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79611899
1-(4-methylpyrrolidin-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116572640
2-(2-methyl-1,3-thiazol-4-yl)-1-(3-oxabicyclo[3.1.0]hexan-6-yl)ethanone
CID 130965050
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-phenylcyclopropyl)ethanone
CID 116517016
1-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 96576936
1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylic acid
CID 43355974
3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63041849
8-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 106039600
2-(4-fluoro-2-methylphenyl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 114347355

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 112680639) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)C2CC3CCC(C2)N3C)cs1.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is LBLOTDFHNQZMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-9-15-11(8-18-9)7-14(17)10-5-12-3-4-13(6-10)16(12)2/h8,10,12-13H,3-7H2,1-2H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 264.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 112680639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).