2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid

C15H17NO5S — CID 82027979

IUPAC2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid
SMILESCCc1sc(=O)n(CC(=O)O)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H17NO5S/c1-4-12-14(16(8-13(17)18)15(19)22-12)9-5-6-10(20-2)11(7-9)21-3/h5-7H,4,8H2,1-3H3,(H,17,18)
InChIKeyAXUXFBXKICONBP-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.24
Rot. Bonds6

About 2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid

2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid (PubChem CID 82027979) has the molecular formula C15H17NO5S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid
PubChem CID82027979
Molecular FormulaC15H17NO5S
Molecular Weight323.37 g/mol
Exact Mass323.08
IUPAC Name2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid
SMILESCCc1sc(=O)n(CC(=O)O)c1-c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H17NO5S/c1-4-12-14(16(8-13(17)18)15(19)22-12)9-5-6-10(20-2)11(7-9)21-3/h5-7H,4,8H2,1-3H3,(H,17,18)
InChIKeyAXUXFBXKICONBP-UHFFFAOYSA-N
XLogP2.24
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-ethyl-4-(4-methoxy-3-methylphenyl)-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 92936564
2-[4-(4-chlorophenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid
CID 82027973
2-[5-ethyl-2-oxo-4-(4-propoxyphenyl)-1,3-thiazol-3-yl]acetic acid
CID 92936565
3-[4-(3,4-dimethoxyphenyl)-5-methyl-2-oxo-1,3-thiazol-3-yl]propanoic acid
CID 82027992
2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20994244
6-(3,4-dimethoxyphenyl)-3,5-diethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035683
2-[4-hydroxy-5-[(4-hydroxy-2-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
CID 54503013
2-[2-(4-butoxy-3-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20993202
3-[4-(3,4-dimethoxyphenyl)phenyl]-3-oxopropanoic acid
CID 170887229
2-[4-(3,4-dimethoxyphenyl)-2-(dimethylamino)-1,3-thiazol-5-yl]acetic acid
CID 97181011
5-(3,4-dimethoxyphenyl)-1-pentyltriazole-4-carboxylic acid
CID 94943980
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid (CID 82027979) is 2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid is CCc1sc(=O)n(CC(=O)O)c1-c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid?
The InChIKey is AXUXFBXKICONBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5S/c1-4-12-14(16(8-13(17)18)15(19)22-12)9-5-6-10(20-2)11(7-9)21-3/h5-7H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid?
2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid has a molecular weight of 323.37 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)-5-ethyl-2-oxo-1,3-thiazol-3-yl]acetic acid is sourced from PubChem (CID 82027979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).