2-ethoxy-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

C16H22N4O2S — CID 70704234

IUPAC2-ethoxy-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(c2nccn2Cc2cscn2)CC1
InChIInChI=1S/C16H22N4O2S/c1-2-22-10-15(21)19-6-3-13(4-7-19)16-17-5-8-20(16)9-14-11-23-12-18-14/h5,8,11-13H,2-4,6-7,9-10H2,1H3
InChIKeyWIKCREILYAPGBY-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.13
Rot. Bonds6

About 2-ethoxy-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone

2-ethoxy-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 70704234) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-ethoxy-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
PubChem CID70704234
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name2-ethoxy-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(c2nccn2Cc2cscn2)CC1
InChIInChI=1S/C16H22N4O2S/c1-2-22-10-15(21)19-6-3-13(4-7-19)16-17-5-8-20(16)9-14-11-23-12-18-14/h5,8,11-13H,2-4,6-7,9-10H2,1H3
InChIKeyWIKCREILYAPGBY-UHFFFAOYSA-N
XLogP2.13
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone (CID 70704234) is 2-ethoxy-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is CCOCC(=O)N1CCC(c2nccn2Cc2cscn2)CC1.
What is the InChIKey of 2-ethoxy-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
The InChIKey is WIKCREILYAPGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-2-22-10-15(21)19-6-3-13(4-7-19)16-17-5-8-20(16)9-14-11-23-12-18-14/h5,8,11-13H,2-4,6-7,9-10H2,1H3.
What are the key properties of 2-ethoxy-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone?
2-ethoxy-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 334.45 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 70704234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).