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

C11H17N3O2S — CID 60708282

IUPAC2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCCOCC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H17N3O2S/c1-2-16-9-10(15)13-4-6-14(7-5-13)11-12-3-8-17-11/h3,8H,2,4-7,9H2,1H3
InChIKeyUZYAUSADIWAJPK-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.83
Rot. Bonds4

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

2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 60708282) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID60708282
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCCOCC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H17N3O2S/c1-2-16-9-10(15)13-4-6-14(7-5-13)11-12-3-8-17-11/h3,8H,2,4-7,9H2,1H3
InChIKeyUZYAUSADIWAJPK-UHFFFAOYSA-N
XLogP0.83
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
3,3-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 70866199
ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
CID 43445563
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 18138931
4,4-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 71146511
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 18138896
2-amino-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 83634826
2-ethoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 60712299
2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 18138965
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 30778210
3-(3,5-dimethoxyphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 41433862

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 60708282) is 2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is CCOCC(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is UZYAUSADIWAJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-16-9-10(15)13-4-6-14(7-5-13)11-12-3-8-17-11/h3,8H,2,4-7,9H2,1H3.
What are the key properties of 2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 255.34 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 60708282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).