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

C10H14N2OS — CID 63845327

IUPAC1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2nccs2)CC1
InChIInChI=1S/C10H14N2OS/c1-8(13)9-2-5-12(6-3-9)10-11-4-7-14-10/h4,7,9H,2-3,5-6H2,1H3
InChIKeyGUSOMGOLDGJIPG-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.95
Rot. Bonds2

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

1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanone (PubChem CID 63845327) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanone
PubChem CID63845327
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2nccs2)CC1
InChIInChI=1S/C10H14N2OS/c1-8(13)9-2-5-12(6-3-9)10-11-4-7-14-10/h4,7,9H,2-3,5-6H2,1H3
InChIKeyGUSOMGOLDGJIPG-UHFFFAOYSA-N
XLogP1.95
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanone (CID 63845327) is 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanone is CC(=O)C1CCN(c2nccs2)CC1.
What is the InChIKey of 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanone?
The InChIKey is GUSOMGOLDGJIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-8(13)9-2-5-12(6-3-9)10-11-4-7-14-10/h4,7,9H,2-3,5-6H2,1H3.
What are the key properties of 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanone?
1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanone has a molecular weight of 210.30 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethanone is sourced from PubChem (CID 63845327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).