2-(2-methoxyethoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

C12H19N3O3S — CID 103606915

IUPAC2-(2-methoxyethoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCOCCOCC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H19N3O3S/c1-17-7-8-18-10-11(16)14-3-5-15(6-4-14)12-13-2-9-19-12/h2,9H,3-8,10H2,1H3
InChIKeyBVVRBRSDWUMBSZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.45
Rot. Bonds6

About 2-(2-methoxyethoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

2-(2-methoxyethoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 103606915) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID103606915
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-(2-methoxyethoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCOCCOCC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H19N3O3S/c1-17-7-8-18-10-11(16)14-3-5-15(6-4-14)12-13-2-9-19-12/h2,9H,3-8,10H2,1H3
InChIKeyBVVRBRSDWUMBSZ-UHFFFAOYSA-N
XLogP0.45
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyethoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 103606915) is 2-(2-methoxyethoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyethoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyethoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is COCCOCC(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-(2-methoxyethoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is BVVRBRSDWUMBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-17-7-8-18-10-11(16)14-3-5-15(6-4-14)12-13-2-9-19-12/h2,9H,3-8,10H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
2-(2-methoxyethoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 285.37 g/mol, XLogP of 0.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 103606915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).