1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone

C14H20N2OS — CID 112681607

IUPAC1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(C2CC3CCC(C2)N3C)nc1C
InChIInChI=1S/C14H20N2OS/c1-8-13(9(2)17)18-14(15-8)10-6-11-4-5-12(7-10)16(11)3/h10-12H,4-7H2,1-3H3
InChIKeyNYNYPDDETLLRAX-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.99
Rot. Bonds2

About 1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone

1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 112681607) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID112681607
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(C2CC3CCC(C2)N3C)nc1C
InChIInChI=1S/C14H20N2OS/c1-8-13(9(2)17)18-14(15-8)10-6-11-4-5-12(7-10)16(11)3/h10-12H,4-7H2,1-3H3
InChIKeyNYNYPDDETLLRAX-UHFFFAOYSA-N
XLogP2.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone with MolForge

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Related Compounds

5-acetyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole-4-carboxylic acid
CID 106696419
N-methyl-1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methanamine
CID 112681681
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
(2-cyclopropyl-4-methyl-1,3-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 110694309
1-[2-[4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 155982454
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazole-5-carboxylic acid
CID 112680544
2-(4-ethylcyclohexyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 65394954
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-ol
CID 130501372
1-(2-bromo-4-methyl-1,3-thiazol-5-yl)ethanone
CID 66644881
N-[[4-(methoxymethyl)-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366221
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
CID 67915994
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39403538

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone (CID 112681607) is 1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(C2CC3CCC(C2)N3C)nc1C.
What is the InChIKey of 1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is NYNYPDDETLLRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-8-13(9(2)17)18-14(15-8)10-6-11-4-5-12(7-10)16(11)3/h10-12H,4-7H2,1-3H3.
What are the key properties of 1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 264.39 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 112681607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).