3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one

C12H18N2O3S — CID 43421240

IUPAC3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)N1CCCCC1CO
InChIInChI=1S/C12H18N2O3S/c1-9-8-18-12(17)14(9)6-11(16)13-5-3-2-4-10(13)7-15/h8,10,15H,2-7H2,1H3
InChIKeySRMOYSGJOZTXOI-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.59
Rot. Bonds3

About 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one

3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 43421240) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID43421240
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CC(=O)N1CCCCC1CO
InChIInChI=1S/C12H18N2O3S/c1-9-8-18-12(17)14(9)6-11(16)13-5-3-2-4-10(13)7-15/h8,10,15H,2-7H2,1H3
InChIKeySRMOYSGJOZTXOI-UHFFFAOYSA-N
XLogP0.59
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one (CID 43421240) is 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CC(=O)N1CCCCC1CO.
What is the InChIKey of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is SRMOYSGJOZTXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-8-18-12(17)14(9)6-11(16)13-5-3-2-4-10(13)7-15/h8,10,15H,2-7H2,1H3.
What are the key properties of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 270.35 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 43421240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).