2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone

C14H19N3O2S — CID 92564309

IUPAC2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2nc(C)n3ccsc23)CC1
InChIInChI=1S/C14H19N3O2S/c1-10-15-13(14-17(10)7-8-20-14)11-3-5-16(6-4-11)12(18)9-19-2/h7-8,11H,3-6,9H2,1-2H3
InChIKeyQBKUKRUWAUAISF-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.06
Rot. Bonds3

About 2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone

2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone (PubChem CID 92564309) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
PubChem CID92564309
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCC(c2nc(C)n3ccsc23)CC1
InChIInChI=1S/C14H19N3O2S/c1-10-15-13(14-17(10)7-8-20-14)11-3-5-16(6-4-11)12(18)9-19-2/h7-8,11H,3-6,9H2,1-2H3
InChIKeyQBKUKRUWAUAISF-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone (CID 92564309) is 2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone is COCC(=O)N1CCC(c2nc(C)n3ccsc23)CC1.
What is the InChIKey of 2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?
The InChIKey is QBKUKRUWAUAISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-15-13(14-17(10)7-8-20-14)11-3-5-16(6-4-11)12(18)9-19-2/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone?
2-methoxy-1-[4-(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-[4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 92564309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).