3-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one

C9H16N2O2S — CID 110880796

IUPAC3-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN(C)CCO
InChIInChI=1S/C9H16N2O2S/c1-8-7-14-9(13)11(8)4-3-10(2)5-6-12/h7,12H,3-6H2,1-2H3
InChIKeyLMZOPGUEYDKMHE-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.14
Rot. Bonds5

About 3-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one

3-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 110880796) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID110880796
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name3-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCc1csc(=O)n1CCN(C)CCO
InChIInChI=1S/C9H16N2O2S/c1-8-7-14-9(13)11(8)4-3-10(2)5-6-12/h7,12H,3-6H2,1-2H3
InChIKeyLMZOPGUEYDKMHE-UHFFFAOYSA-N
XLogP0.14
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103915362
3-[2-[3-Hydroxypropyl(2,2,2-trifluoroethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
CID 111109917
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 113964720
3-(1-Hydroxyethyl)-4-methyl-1,3-thiazol-2-one
CID 17980717
3-(2-Hydroxyethyl)-4-methyl-1,3-thiazol-2-one
CID 43509711
N-(2-hydroxyethyl)-N-[1-(propan-2-yldisulfanyl)prop-1-en-2-yl]formamide
CID 54543919
N-(2-hydroxyethyl)-N-[1-(propyldisulfanyl)prop-1-en-2-yl]formamide
CID 173331299
3-[2-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-methyl-1,3-thiazol-2-one
CID 43415622
N-(2-hydroxyethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-propan-2-ylacetamide
CID 43573736
N-cyclopropyl-N-(2-hydroxyethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 43577327
4-Methyl-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-one
CID 45797041
N-(2-hydroxyethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-pentan-3-ylacetamide
CID 54994616

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one (CID 110880796) is 3-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one is Cc1csc(=O)n1CCN(C)CCO.
What is the InChIKey of 3-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is LMZOPGUEYDKMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-8-7-14-9(13)11(8)4-3-10(2)5-6-12/h7,12H,3-6H2,1-2H3.
What are the key properties of 3-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 216.31 g/mol, XLogP of 0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-hydroxyethyl(methyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 110880796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).