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

C15H22N2O2S — CID 86768615

IUPAC1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
SMILESCc1csc(C2CCCN(C(=O)CC3CCCO3)C2)n1
InChIInChI=1S/C15H22N2O2S/c1-11-10-20-15(16-11)12-4-2-6-17(9-12)14(18)8-13-5-3-7-19-13/h10,12-13H,2-9H2,1H3
InChIKeyPUBAMYFKVSXCHC-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.73
Rot. Bonds3

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

1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone (PubChem CID 86768615) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
PubChem CID86768615
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
SMILESCc1csc(C2CCCN(C(=O)CC3CCCO3)C2)n1
InChIInChI=1S/C15H22N2O2S/c1-11-10-20-15(16-11)12-4-2-6-17(9-12)14(18)8-13-5-3-7-19-13/h10,12-13H,2-9H2,1H3
InChIKeyPUBAMYFKVSXCHC-UHFFFAOYSA-N
XLogP2.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone?
The IUPAC name of 1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone (CID 86768615) is 1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone.
What is the SMILES notation for 1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone?
The canonical SMILES for 1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone is Cc1csc(C2CCCN(C(=O)CC3CCCO3)C2)n1.
What is the InChIKey of 1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone?
The InChIKey is PUBAMYFKVSXCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-10-20-15(16-11)12-4-2-6-17(9-12)14(18)8-13-5-3-7-19-13/h10,12-13H,2-9H2,1H3.
What are the key properties of 1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone?
1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone has a molecular weight of 294.42 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone is sourced from PubChem (CID 86768615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).