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

C14H19N3O2S — CID 92564268

IUPAC2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@H](c2nc(C)n3ccsc23)C1
InChIInChI=1S/C14H19N3O2S/c1-10-15-13(14-17(10)6-7-20-14)11-4-3-5-16(8-11)12(18)9-19-2/h6-7,11H,3-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyDKTZHEOVLXABMO-NSHDSACASA-N
MW293.39 g/mol
LogP2.06
Rot. Bonds3

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

2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone (PubChem CID 92564268) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
PubChem CID92564268
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC[C@H](c2nc(C)n3ccsc23)C1
InChIInChI=1S/C14H19N3O2S/c1-10-15-13(14-17(10)6-7-20-14)11-4-3-5-16(8-11)12(18)9-19-2/h6-7,11H,3-5,8-9H2,1-2H3/t11-/m0/s1
InChIKeyDKTZHEOVLXABMO-NSHDSACASA-N
XLogP2.06
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 92564309
(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]butan-1-one
CID 92564845
2-methoxy-1-[(3R)-3-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 95811568
3-(3-ethoxy-1,2-oxazol-5-yl)-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]propan-1-one
CID 92593496
(1,5-dimethylpyrazol-4-yl)-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 110216628
4-[3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 110216631
2-methoxy-1-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95051897
1-[(3S)-3-[5-(2-ethylanilino)imidazo[5,1-b][1,3]thiazol-7-yl]piperidin-1-yl]propan-1-one
CID 92589209
(2-methoxypyrimidin-5-yl)-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]methanone
CID 92564313
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
1-[3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110254248

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone (CID 92564268) is 2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone is COCC(=O)N1CCC[C@H](c2nc(C)n3ccsc23)C1.
What is the InChIKey of 2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?
The InChIKey is DKTZHEOVLXABMO-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-15-13(14-17(10)6-7-20-14)11-4-3-5-16(8-11)12(18)9-19-2/h6-7,11H,3-5,8-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?
2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone has a molecular weight of 293.39 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[(3S)-3-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 92564268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).