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

C14H15NO4S — CID 5028133

IUPAC2-[4-(3,4-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(C)sc2CC(=O)O)cc1OC
InChIInChI=1S/C14H15NO4S/c1-8-15-14(12(20-8)7-13(16)17)9-4-5-10(18-2)11(6-9)19-3/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyXRLRXNYXYSBOAZ-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.76
Rot. Bonds5

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

2-[4-(3,4-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid (PubChem CID 5028133) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[4-(3,4-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,4-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
PubChem CID5028133
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name2-[4-(3,4-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
SMILESCOc1ccc(-c2nc(C)sc2CC(=O)O)cc1OC
InChIInChI=1S/C14H15NO4S/c1-8-15-14(12(20-8)7-13(16)17)9-4-5-10(18-2)11(6-9)19-3/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyXRLRXNYXYSBOAZ-UHFFFAOYSA-N
XLogP2.76
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylic Acid
CID 1473790
2-[(1S)-5-{3-[2-methoxy-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 10368444
2-[(1S)-5-[3-(4-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}-2-methoxyphenoxy)propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 10457843
2-[(1S)-5-{3-[4-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 11754345
2-Amino-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-thiazoleacetic acid
CID 6494197
2-[4-(4-Methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 772515
[2-(4-Chlorophenyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 4151303
2-(3,4-Diethoxyphenyl)-4-(3-carboxyphenyl)thiazole
CID 10451740
2-(2-(Bis(4-methoxyphenyl)methyl)-4-(4-fluorophenyl)thiazol-5-yl)acetic acid
CID 11648347
2-(4-(4-Fluorophenyl)-2-((4-methoxyphenyl)(phenyl)methyl)thiazol-5-yl)acetic acid
CID 11697751
[4-(4-Fluoro-phenyl)-2-(4'-methoxy-biphenyl-2-ylmethyl)-thiazol-5-yl]-acetic acid
CID 46229808
[4-(4-Fluoro-phenyl)-2-(3'-methoxy-biphenyl-2-ylmethyl)-thiazol-5-yl]-acetic acid
CID 46229852

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-(3,4-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid (CID 5028133) is 2-[4-(3,4-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,4-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-(3,4-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid is COc1ccc(-c2nc(C)sc2CC(=O)O)cc1OC.
What is the InChIKey of 2-[4-(3,4-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
The InChIKey is XRLRXNYXYSBOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-8-15-14(12(20-8)7-13(16)17)9-4-5-10(18-2)11(6-9)19-3/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(3,4-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid?
2-[4-(3,4-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid has a molecular weight of 293.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 5028133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).