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

C12H11NO3S — CID 22494009

IUPAC2-(2-methoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccccc1-c1nc(C(=O)O)c(C)s1
InChIInChI=1S/C12H11NO3S/c1-7-10(12(14)15)13-11(17-7)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H,14,15)
InChIKeyVSIMZGWRWCWWLR-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.83
Rot. Bonds3

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

2-(2-methoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 22494009) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID22494009
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-(2-methoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccccc1-c1nc(C(=O)O)c(C)s1
InChIInChI=1S/C12H11NO3S/c1-7-10(12(14)15)13-11(17-7)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H,14,15)
InChIKeyVSIMZGWRWCWWLR-UHFFFAOYSA-N
XLogP2.83
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2-methoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 22494009) is 2-(2-methoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2-methoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid is COc1ccccc1-c1nc(C(=O)O)c(C)s1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is VSIMZGWRWCWWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-7-10(12(14)15)13-11(17-7)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2-(2-methoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(2-methoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 249.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 22494009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).