2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone

C16H23N3O2S — CID 95811568

IUPAC2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@H](c2nc(C)n3c(C)c(C)sc23)C1
InChIInChI=1S/C16H23N3O2S/c1-10-11(2)22-16-15(17-12(3)19(10)16)13-6-5-7-18(8-13)14(20)9-21-4/h13H,5-9H2,1-4H3/t13-/m1/s1
InChIKeyAUNMHQYVWXPMMO-CYBMUJFWSA-N
MW321.45 g/mol
LogP2.67
Rot. Bonds3

About 2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone

2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone (PubChem CID 95811568) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
PubChem CID95811568
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC Name2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@@H](c2nc(C)n3c(C)c(C)sc23)C1
InChIInChI=1S/C16H23N3O2S/c1-10-11(2)22-16-15(17-12(3)19(10)16)13-6-5-7-18(8-13)14(20)9-21-4/h13H,5-9H2,1-4H3/t13-/m1/s1
InChIKeyAUNMHQYVWXPMMO-CYBMUJFWSA-N
XLogP2.67
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutyl-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 95828336
2-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide
CID 95828012
2-[(3S)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]acetamide
CID 95828013
2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 92564268
cyclohexyl-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 92598278
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 92598280
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248
1-[(3R)-3-(5-anilino-2,3-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 92598243
(2R)-1-[4-[(3R)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-4-oxobutanoyl]pyrrolidine-2-carboxamide
CID 92564036
2-methoxy-1-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822520
2-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822521

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone (CID 95811568) is 2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone is COCC(=O)N1CCC[C@@H](c2nc(C)n3c(C)c(C)sc23)C1.
What is the InChIKey of 2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?
The InChIKey is AUNMHQYVWXPMMO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-10-11(2)22-16-15(17-12(3)19(10)16)13-6-5-7-18(8-13)14(20)9-21-4/h13H,5-9H2,1-4H3/t13-/m1/s1.
What are the key properties of 2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?
2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone has a molecular weight of 321.45 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95811568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).