5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid

C13H11NO5S — CID 136690611

IUPAC5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1cc(-c2nc(C(=O)O)c(C(C)=O)s2)ccc1O
InChIInChI=1S/C13H11NO5S/c1-6(15)11-10(13(17)18)14-12(20-11)7-3-4-8(16)9(5-7)19-2/h3-5,16H,1-2H3,(H,17,18)
InChIKeyCBJRCLONXJJZLM-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.43
Rot. Bonds4

About 5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid

5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 136690611) has the molecular formula C13H11NO5S and a molecular weight of 293.30 g/mol. Its IUPAC name is 5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID136690611
Molecular FormulaC13H11NO5S
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Name5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1cc(-c2nc(C(=O)O)c(C(C)=O)s2)ccc1O
InChIInChI=1S/C13H11NO5S/c1-6(15)11-10(13(17)18)14-12(20-11)7-3-4-8(16)9(5-7)19-2/h3-5,16H,1-2H3,(H,17,18)
InChIKeyCBJRCLONXJJZLM-UHFFFAOYSA-N
XLogP2.43
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

methyl 5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 136690605
5-acetyl-2-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696176
methyl 5-acetyl-2-(3,4-dihydroxyphenyl)-1,3-thiazole-4-carboxylate
CID 136889058
5-acetyl-2-naphthalen-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696152
5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696093
1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 61288983
5-acetyl-2-(3-aminophenyl)-1,3-thiazole-4-carboxylic acid
CID 107380226
5-acetyl-2-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106696122
ethyl 5-acetyl-2-(3,4-dimethylphenyl)-1,3-thiazole-4-carboxylate
CID 107376127
acetic acid;2-methoxybenzene-1,4-diol
CID 70568459
5-acetyl-2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696203
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid (CID 136690611) is 5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid is COc1cc(-c2nc(C(=O)O)c(C(C)=O)s2)ccc1O.
What is the InChIKey of 5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is CBJRCLONXJJZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO5S/c1-6(15)11-10(13(17)18)14-12(20-11)7-3-4-8(16)9(5-7)19-2/h3-5,16H,1-2H3,(H,17,18).
What are the key properties of 5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 293.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 136690611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).