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

C10H14N2OS — CID 59863035

IUPAC1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(C2CCNCC2)n1
InChIInChI=1S/C10H14N2OS/c1-7(13)9-6-14-10(12-9)8-2-4-11-5-3-8/h6,8,11H,2-5H2,1H3
InChIKeyGTDQMCLRCKSVRC-UHFFFAOYSA-N
MW210.30 g/mol
LogP1.81
Rot. Bonds2

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

1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 59863035) has the molecular formula C10H14N2OS and a molecular weight of 210.30 g/mol. Its IUPAC name is 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone
PubChem CID59863035
Molecular FormulaC10H14N2OS
Molecular Weight210.30 g/mol
Exact Mass210.08
IUPAC Name1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(C2CCNCC2)n1
InChIInChI=1S/C10H14N2OS/c1-7(13)9-6-14-10(12-9)8-2-4-11-5-3-8/h6,8,11H,2-5H2,1H3
InChIKeyGTDQMCLRCKSVRC-UHFFFAOYSA-N
XLogP1.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone (CID 59863035) is 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone is CC(=O)c1csc(C2CCNCC2)n1.
What is the InChIKey of 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is GTDQMCLRCKSVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS/c1-7(13)9-6-14-10(12-9)8-2-4-11-5-3-8/h6,8,11H,2-5H2,1H3.
What are the key properties of 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone?
1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 210.30 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-4-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 59863035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).