1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpiperidin-4-one

C13H20N2OS — CID 54976199

IUPAC1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpiperidin-4-one
SMILESCc1nc(C)c(C(C)N2CCC(=O)CC2C)s1
InChIInChI=1S/C13H20N2OS/c1-8-7-12(16)5-6-15(8)10(3)13-9(2)14-11(4)17-13/h8,10H,5-7H2,1-4H3
InChIKeyVFJNNYGXKOBVIL-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.87
Rot. Bonds2

About 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpiperidin-4-one

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpiperidin-4-one (PubChem CID 54976199) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpiperidin-4-one.

Molecular Properties

Compound Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpiperidin-4-one
PubChem CID54976199
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpiperidin-4-one
SMILESCc1nc(C)c(C(C)N2CCC(=O)CC2C)s1
InChIInChI=1S/C13H20N2OS/c1-8-7-12(16)5-6-15(8)10(3)13-9(2)14-11(4)17-13/h8,10H,5-7H2,1-4H3
InChIKeyVFJNNYGXKOBVIL-UHFFFAOYSA-N
XLogP2.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpiperidin-4-one?
The IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpiperidin-4-one (CID 54976199) is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpiperidin-4-one.
What is the SMILES notation for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpiperidin-4-one?
The canonical SMILES for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpiperidin-4-one is Cc1nc(C)c(C(C)N2CCC(=O)CC2C)s1.
What is the InChIKey of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpiperidin-4-one?
The InChIKey is VFJNNYGXKOBVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-8-7-12(16)5-6-15(8)10(3)13-9(2)14-11(4)17-13/h8,10H,5-7H2,1-4H3.
What are the key properties of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpiperidin-4-one?
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpiperidin-4-one has a molecular weight of 252.38 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methylpiperidin-4-one is sourced from PubChem (CID 54976199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).