4-(4-ethyl-5-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid

C10H15NO3S — CID 43286969

IUPAC4-(4-ethyl-5-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid
SMILESCCc1c(C)sc(=O)n1CCCC(=O)O
InChIInChI=1S/C10H15NO3S/c1-3-8-7(2)15-10(14)11(8)6-4-5-9(12)13/h3-6H2,1-2H3,(H,12,13)
InChIKeyDLTKEBCIZWYXHJ-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.65
Rot. Bonds5

About 4-(4-ethyl-5-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid

4-(4-ethyl-5-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid (PubChem CID 43286969) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(4-ethyl-5-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-ethyl-5-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid
PubChem CID43286969
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Name4-(4-ethyl-5-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid
SMILESCCc1c(C)sc(=O)n1CCCC(=O)O
InChIInChI=1S/C10H15NO3S/c1-3-8-7(2)15-10(14)11(8)6-4-5-9(12)13/h3-6H2,1-2H3,(H,12,13)
InChIKeyDLTKEBCIZWYXHJ-UHFFFAOYSA-N
XLogP1.65
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-chlorophenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]butanoic acid
CID 43286990
4-(5,6-dimethyl-4-oxo-2-propylthieno[2,3-d]pyrimidin-3-yl)butanoic acid
CID 28896745
4-(4-tert-butyl-2-oxo-1,3-thiazol-3-yl)butanoic acid
CID 16768110
4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid
CID 60875461
4-[4-(2,5-dimethylphenyl)-2-oxo-1,3-thiazol-3-yl]butanoic acid
CID 43243704
4-(5-iodo-2-oxo-1,3-thiazol-3-yl)butanoic acid
CID 66222182
4-(2-oxo-6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)butanoic acid
CID 62703924
1-(3-carboxypropyl)-5-ethyltriazole-4-carboxylic acid
CID 82211957
7-[4-(3-hydroxyoctyl)-2,5-dioxo-1,3,4-thiadiazolidin-3-yl]heptanoic acid
CID 71380307
4-(3-bromo-2,5-dimethylpyrrol-1-yl)butanoic acid
CID 82514165
5-[2-(4-carboxybutyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]pentanoic acid
CID 102274603
3-[4-(3,4-dimethoxyphenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]propanoic acid
CID 82027992

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-5-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid?
The IUPAC name of 4-(4-ethyl-5-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid (CID 43286969) is 4-(4-ethyl-5-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid.
What is the SMILES notation for 4-(4-ethyl-5-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid?
The canonical SMILES for 4-(4-ethyl-5-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid is CCc1c(C)sc(=O)n1CCCC(=O)O.
What is the InChIKey of 4-(4-ethyl-5-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid?
The InChIKey is DLTKEBCIZWYXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-3-8-7(2)15-10(14)11(8)6-4-5-9(12)13/h3-6H2,1-2H3,(H,12,13).
What are the key properties of 4-(4-ethyl-5-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid?
4-(4-ethyl-5-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid has a molecular weight of 229.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-5-methyl-2-oxo-1,3-thiazol-3-yl)butanoic acid is sourced from PubChem (CID 43286969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).