3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid

C14H15NO5S — CID 43286918

IUPAC3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
SMILESCOc1ccc(-c2csc(=O)n2CCC(=O)O)c(OC)c1
InChIInChI=1S/C14H15NO5S/c1-19-9-3-4-10(12(7-9)20-2)11-8-21-14(18)15(11)6-5-13(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeySWRYNIYCGPZICY-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.07
Rot. Bonds6

About 3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid

3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid (PubChem CID 43286918) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
PubChem CID43286918
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
SMILESCOc1ccc(-c2csc(=O)n2CCC(=O)O)c(OC)c1
InChIInChI=1S/C14H15NO5S/c1-19-9-3-4-10(12(7-9)20-2)11-8-21-14(18)15(11)6-5-13(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeySWRYNIYCGPZICY-UHFFFAOYSA-N
XLogP2.07
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(5-methylfuran-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
CID 43286910
2-[4-(3-methoxyphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 16768004
3-[4-(5-bromo-2-fluorophenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
CID 82970922
3-(5-methoxy-1,3-dioxoisoindol-2-yl)propanoic acid
CID 117031888
3-[4-(4-bromothiophen-2-yl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
CID 107355185
3-(7-methoxy-2-oxoquinolin-1-yl)propanoic acid
CID 68631645
4-[4-(4-bromo-2-chlorophenyl)-2-oxo-1,3-thiazol-3-yl]butanoic acid
CID 82779511
3-[4-(4-chloro-3-nitrophenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid
CID 43286917
3-[5-[(2,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoic acid
CID 3896867
1-(2-aminoethyl)-6-(2,4-dimethoxyphenyl)-2-sulfanylidenepyrimidin-4-one
CID 71571305
6-(2,4-dimethoxyphenyl)-4-(hydroxymethyl)-2-methylpyridazin-3-one
CID 82444415
3-amino-6-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)pyridin-2-one
CID 82467142

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid?
The IUPAC name of 3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid (CID 43286918) is 3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid?
The canonical SMILES for 3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid is COc1ccc(-c2csc(=O)n2CCC(=O)O)c(OC)c1.
What is the InChIKey of 3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid?
The InChIKey is SWRYNIYCGPZICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c1-19-9-3-4-10(12(7-9)20-2)11-8-21-14(18)15(11)6-5-13(16)17/h3-4,7-8H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid?
3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid has a molecular weight of 309.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-dimethoxyphenyl)-2-oxo-1,3-thiazol-3-yl]propanoic acid is sourced from PubChem (CID 43286918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).