ethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate

C11H17NO4S — CID 82775093

IUPACethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C11H17NO4S/c1-4-16-10(14)5-9(13)6-12-7(2)8(3)17-11(12)15/h9,13H,4-6H2,1-3H3
InChIKeyQSYIFIUHBFGRTK-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.84
Rot. Bonds5

About ethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate

ethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate (PubChem CID 82775093) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is ethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate
PubChem CID82775093
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Nameethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)Cn1c(C)c(C)sc1=O
InChIInChI=1S/C11H17NO4S/c1-4-16-10(14)5-9(13)6-12-7(2)8(3)17-11(12)15/h9,13H,4-6H2,1-3H3
InChIKeyQSYIFIUHBFGRTK-UHFFFAOYSA-N
XLogP0.84
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-4-oxopentanoate
CID 103484760
3-[2-hydroxy-3-(methylamino)propyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 63312953
ethyl 3-hydroxy-4-(3-methyl-2-oxobenzimidazol-1-yl)butanoate
CID 82776970
ethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate
CID 82776514
ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate
CID 82778065
ethyl 4-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-hydroxybutanoate
CID 82771268
ethyl 4-(azocan-1-yl)-3-hydroxybutanoate
CID 82777815
ethyl 3-hydroxy-4-(1-oxoisoquinolin-2-yl)butanoate
CID 82777279
ethyl 3-hydroxy-4-(3-methyl-2-oxo-1-pyridinyl)butanoate
CID 82777530
ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate
CID 82777495
ethyl (5R)-3-hydroxy-5-methylheptanoate
CID 11679950
ethyl 3-hydroxy-4-(5-oxo-1,4-diazepan-1-yl)butanoate
CID 82768810

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate?
The IUPAC name of ethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate (CID 82775093) is ethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate is CCOC(=O)CC(O)Cn1c(C)c(C)sc1=O.
What is the InChIKey of ethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate?
The InChIKey is QSYIFIUHBFGRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-4-16-10(14)5-9(13)6-12-7(2)8(3)17-11(12)15/h9,13H,4-6H2,1-3H3.
What are the key properties of ethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate?
ethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate has a molecular weight of 259.33 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-3-hydroxybutanoate is sourced from PubChem (CID 82775093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).