1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone

C17H19N3O3S — CID 57096120

IUPAC1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone
SMILESCC(=O)N1CCN(C(=O)COc2ccccc2-c2cscn2)CC1
InChIInChI=1S/C17H19N3O3S/c1-13(21)19-6-8-20(9-7-19)17(22)10-23-16-5-3-2-4-14(16)15-11-24-12-18-15/h2-5,11-12H,6-10H2,1H3
InChIKeyZNRWBBKGBVKILF-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.88
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone

1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone (PubChem CID 57096120) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone
PubChem CID57096120
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone
SMILESCC(=O)N1CCN(C(=O)COc2ccccc2-c2cscn2)CC1
InChIInChI=1S/C17H19N3O3S/c1-13(21)19-6-8-20(9-7-19)17(22)10-23-16-5-3-2-4-14(16)15-11-24-12-18-15/h2-5,11-12H,6-10H2,1H3
InChIKeyZNRWBBKGBVKILF-UHFFFAOYSA-N
XLogP1.88
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 35741660
1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 112977426
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28857676
1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 78767258
2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
CID 9180756
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108568632
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731896
[2-acetyloxy-3-(1,3-thiazol-4-yl)phenyl] acetate
CID 54040681
4-(4-acetylpiperazin-1-yl)-N'-[2-(2-chlorophenoxy)acetyl]-4-oxobutanehydrazide
CID 9321254
2-(2-phenylphenoxy)-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone
CID 9180755
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367
2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 61400060

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone (CID 57096120) is 1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone is CC(=O)N1CCN(C(=O)COc2ccccc2-c2cscn2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone?
The InChIKey is ZNRWBBKGBVKILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-13(21)19-6-8-20(9-7-19)17(22)10-23-16-5-3-2-4-14(16)15-11-24-12-18-15/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone has a molecular weight of 345.42 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[2-(1,3-thiazol-4-yl)phenoxy]ethanone is sourced from PubChem (CID 57096120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).