1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone

C13H22N2OS — CID 57139851

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone
SMILESCC1=CSCN1CC(=O)N1C(C)CCCC1C
InChIInChI=1S/C13H22N2OS/c1-10-5-4-6-11(2)15(10)13(16)7-14-9-17-8-12(14)3/h8,10-11H,4-7,9H2,1-3H3
InChIKeySPZXMBVVHVQROM-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.64
Rot. Bonds2

About 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone (PubChem CID 57139851) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone
PubChem CID57139851
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone
SMILESCC1=CSCN1CC(=O)N1C(C)CCCC1C
InChIInChI=1S/C13H22N2OS/c1-10-5-4-6-11(2)15(10)13(16)7-14-9-17-8-12(14)3/h8,10-11H,4-7,9H2,1-3H3
InChIKeySPZXMBVVHVQROM-UHFFFAOYSA-N
XLogP2.64
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone (CID 57139851) is 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone is CC1=CSCN1CC(=O)N1C(C)CCCC1C.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone?
The InChIKey is SPZXMBVVHVQROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10-5-4-6-11(2)15(10)13(16)7-14-9-17-8-12(14)3/h8,10-11H,4-7,9H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone has a molecular weight of 254.40 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-(4-methyl-2H-1,3-thiazol-3-yl)ethanone is sourced from PubChem (CID 57139851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).