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

C11H18N2OS — CID 105061137

IUPAC4-methyl-3-(2-piperidin-4-ylethyl)-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCC1CCNCC1
InChIInChI=1S/C11H18N2OS/c1-9-8-15-11(14)13(9)7-4-10-2-5-12-6-3-10/h8,10,12H,2-7H2,1H3
InChIKeyRAKWCZDXOVZLGN-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.61
Rot. Bonds3

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

4-methyl-3-(2-piperidin-4-ylethyl)-1,3-thiazol-2-one (PubChem CID 105061137) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-methyl-3-(2-piperidin-4-ylethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-methyl-3-(2-piperidin-4-ylethyl)-1,3-thiazol-2-one
PubChem CID105061137
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-methyl-3-(2-piperidin-4-ylethyl)-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCC1CCNCC1
InChIInChI=1S/C11H18N2OS/c1-9-8-15-11(14)13(9)7-4-10-2-5-12-6-3-10/h8,10,12H,2-7H2,1H3
InChIKeyRAKWCZDXOVZLGN-UHFFFAOYSA-N
XLogP1.61
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 47210086
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 51115790
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]propanamide
CID 52248289
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]propanamide
CID 52248291
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 55717168
4-Methyl-3-(piperidin-3-ylmethyl)-1,3-thiazol-2-one
CID 61678275
4-Methyl-3-(piperidin-4-ylmethyl)-1,3-thiazol-2-one
CID 61683922
4-Methyl-3-(2-piperidin-2-ylethyl)-1,3-thiazol-2-one
CID 61684236
4-Methyl-3-(piperidin-2-ylmethyl)-1,3-thiazol-2-one
CID 61686375
4-Methyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one
CID 62356701
4,5-Dimethyl-3-(2-piperidin-3-ylethyl)-1,3-thiazol-2-one
CID 63312426
3-(2-Piperidin-3-ylethyl)-1,3-thiazol-2-one
CID 63312449

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-piperidin-4-ylethyl)-1,3-thiazol-2-one?
The IUPAC name of 4-methyl-3-(2-piperidin-4-ylethyl)-1,3-thiazol-2-one (CID 105061137) is 4-methyl-3-(2-piperidin-4-ylethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 4-methyl-3-(2-piperidin-4-ylethyl)-1,3-thiazol-2-one?
The canonical SMILES for 4-methyl-3-(2-piperidin-4-ylethyl)-1,3-thiazol-2-one is Cc1csc(=O)n1CCC1CCNCC1.
What is the InChIKey of 4-methyl-3-(2-piperidin-4-ylethyl)-1,3-thiazol-2-one?
The InChIKey is RAKWCZDXOVZLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-9-8-15-11(14)13(9)7-4-10-2-5-12-6-3-10/h8,10,12H,2-7H2,1H3.
What are the key properties of 4-methyl-3-(2-piperidin-4-ylethyl)-1,3-thiazol-2-one?
4-methyl-3-(2-piperidin-4-ylethyl)-1,3-thiazol-2-one has a molecular weight of 226.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-piperidin-4-ylethyl)-1,3-thiazol-2-one is sourced from PubChem (CID 105061137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).