2-ethoxy-1-[4-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone

C16H23N3O3S — CID 118772008

IUPAC2-ethoxy-1-[4-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(C(=O)N2CC(c3nccs3)C2)CC1
InChIInChI=1S/C16H23N3O3S/c1-2-22-11-14(20)18-6-3-12(4-7-18)16(21)19-9-13(10-19)15-17-5-8-23-15/h5,8,12-13H,2-4,6-7,9-11H2,1H3
InChIKeyJJQHKLSJXSGRKU-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.34
Rot. Bonds5

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

2-ethoxy-1-[4-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 118772008) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-ethoxy-1-[4-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID118772008
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name2-ethoxy-1-[4-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(C(=O)N2CC(c3nccs3)C2)CC1
InChIInChI=1S/C16H23N3O3S/c1-2-22-11-14(20)18-6-3-12(4-7-18)16(21)19-9-13(10-19)15-17-5-8-23-15/h5,8,12-13H,2-4,6-7,9-11H2,1H3
InChIKeyJJQHKLSJXSGRKU-UHFFFAOYSA-N
XLogP1.34
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone (CID 118772008) is 2-ethoxy-1-[4-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone is CCOCC(=O)N1CCC(C(=O)N2CC(c3nccs3)C2)CC1.
What is the InChIKey of 2-ethoxy-1-[4-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is JJQHKLSJXSGRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-2-22-11-14(20)18-6-3-12(4-7-18)16(21)19-9-13(10-19)15-17-5-8-23-15/h5,8,12-13H,2-4,6-7,9-11H2,1H3.
What are the key properties of 2-ethoxy-1-[4-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone?
2-ethoxy-1-[4-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 337.45 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-[3-(1,3-thiazol-2-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 118772008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).