4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one

C11H16N2O2S — CID 60692214

IUPAC4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)N1CCCCC1
InChIInChI=1S/C11H16N2O2S/c1-9-8-16-11(15)13(9)7-10(14)12-5-3-2-4-6-12/h8H,2-7H2,1H3
InChIKeyBUBWRHIALCRUBN-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.23
Rot. Bonds2

About 4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one

4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one (PubChem CID 60692214) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one
PubChem CID60692214
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)N1CCCCC1
InChIInChI=1S/C11H16N2O2S/c1-9-8-16-11(15)13(9)7-10(14)12-5-3-2-4-6-12/h8H,2-7H2,1H3
InChIKeyBUBWRHIALCRUBN-UHFFFAOYSA-N
XLogP1.23
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one (CID 60692214) is 4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one is Cc1csc(=O)n1CC(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one?
The InChIKey is BUBWRHIALCRUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9-8-16-11(15)13(9)7-10(14)12-5-3-2-4-6-12/h8H,2-7H2,1H3.
What are the key properties of 4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one?
4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one has a molecular weight of 240.33 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 60692214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).