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

C14H22N2OS — CID 79407387

IUPAC1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dimethylpiperidin-4-one
SMILESCc1nc(C)c(C(C)N2CCC(=O)C(C)C2C)s1
InChIInChI=1S/C14H22N2OS/c1-8-10(3)16(7-6-13(8)17)11(4)14-9(2)15-12(5)18-14/h8,10-11H,6-7H2,1-5H3
InChIKeyYLMSDBRYNAWHPX-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.12
Rot. Bonds2

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

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dimethylpiperidin-4-one (PubChem CID 79407387) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dimethylpiperidin-4-one
PubChem CID79407387
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dimethylpiperidin-4-one
SMILESCc1nc(C)c(C(C)N2CCC(=O)C(C)C2C)s1
InChIInChI=1S/C14H22N2OS/c1-8-10(3)16(7-6-13(8)17)11(4)14-9(2)15-12(5)18-14/h8,10-11H,6-7H2,1-5H3
InChIKeyYLMSDBRYNAWHPX-UHFFFAOYSA-N
XLogP3.12
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.12
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]-2,3-dimethylpiperidin-4-one?
The IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dimethylpiperidin-4-one (CID 79407387) is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dimethylpiperidin-4-one.
What is the SMILES notation for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dimethylpiperidin-4-one?
The canonical SMILES for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dimethylpiperidin-4-one is Cc1nc(C)c(C(C)N2CCC(=O)C(C)C2C)s1.
What is the InChIKey of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dimethylpiperidin-4-one?
The InChIKey is YLMSDBRYNAWHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-8-10(3)16(7-6-13(8)17)11(4)14-9(2)15-12(5)18-14/h8,10-11H,6-7H2,1-5H3.
What are the key properties of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dimethylpiperidin-4-one?
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,3-dimethylpiperidin-4-one has a molecular weight of 266.41 g/mol, XLogP of 3.12, 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]-2,3-dimethylpiperidin-4-one is sourced from PubChem (CID 79407387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).