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

C11H20N2O3S — CID 111103149

IUPAC3-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCOCCN(CCO)CCn1c(C)csc1=O
InChIInChI=1S/C11H20N2O3S/c1-10-9-17-11(15)13(10)4-3-12(5-7-14)6-8-16-2/h9,14H,3-8H2,1-2H3
InChIKeyYPUPIOSYYFPYAN-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.16
Rot. Bonds8

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

3-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one (PubChem CID 111103149) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
PubChem CID111103149
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name3-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one
SMILESCOCCN(CCO)CCn1c(C)csc1=O
InChIInChI=1S/C11H20N2O3S/c1-10-9-17-11(15)13(10)4-3-12(5-7-14)6-8-16-2/h9,14H,3-8H2,1-2H3
InChIKeyYPUPIOSYYFPYAN-UHFFFAOYSA-N
XLogP0.16
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-Hydroxyethyl)-4-methyl-1,3-thiazol-2-one
CID 43509711
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
4-Methyl-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-one
CID 45797041
4-Methyl-3-[2-(3-methylmorpholin-4-yl)ethyl]-1,3-thiazol-2-one
CID 51114083
4-methyl-3-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-1,3-thiazol-2-one
CID 52285868
4-methyl-3-[2-[(3R)-3-methylmorpholin-4-yl]ethyl]-1,3-thiazol-2-one
CID 52285869
N-(2-hydroxyethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-pentan-3-ylacetamide
CID 54994616
3-[2-(2-Hydroxyethoxy)ethyl]-4-methyl-1,3-thiazol-2-one
CID 61070159
N,N-bis(2-hydroxyethyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 61236222
2-[2-Methoxyethyl-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]acetic acid
CID 61537186
N-(2-hydroxypropyl)-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 62334254

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
The IUPAC name of 3-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one (CID 111103149) is 3-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one.
What is the SMILES notation for 3-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
The canonical SMILES for 3-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one is COCCN(CCO)CCn1c(C)csc1=O.
What is the InChIKey of 3-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
The InChIKey is YPUPIOSYYFPYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-10-9-17-11(15)13(10)4-3-12(5-7-14)6-8-16-2/h9,14H,3-8H2,1-2H3.
What are the key properties of 3-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one?
3-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one has a molecular weight of 260.36 g/mol, XLogP of 0.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-hydroxyethyl(2-methoxyethyl)amino]ethyl]-4-methyl-1,3-thiazol-2-one is sourced from PubChem (CID 111103149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).