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

C12H11NO3S — CID 4962843

IUPAC2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc(C)c(C(=O)O)s2)cc1
InChIInChI=1S/C12H11NO3S/c1-7-10(12(14)15)17-11(13-7)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H,14,15)
InChIKeyHWHHZTHVYFDJNK-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.83
Rot. Bonds3

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

2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 4962843) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID4962843
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc(C)c(C(=O)O)s2)cc1
InChIInChI=1S/C12H11NO3S/c1-7-10(12(14)15)17-11(13-7)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H,14,15)
InChIKeyHWHHZTHVYFDJNK-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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Related Compounds

Febuxostat
CID 134018
4-Methyl-2-phenyl-thiazole-5-carboxylic acid
CID 720957
(2-(4-Methoxyphenyl)-1,3-thiazol-4-yl)acetic acid
CID 738083
2-[4-(4-Methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 772515
ethyl (E)-3-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enoate
CID 10046226
4-Methyl-2-[4-(2-methylpropoxy)-3-nitrophenyl]-1,3-thiazole-5-carboxylic acid
CID 19965118
(E)-3-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]prop-2-enoic acid
CID 22728016
2-(2-(4-Methoxyphenyl)-4-phenylthiazol-5-yl)acetic acid
CID 46230233
2,2-Dideuterio-3-[4-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methoxy]phenyl]propanoic acid
CID 155547604
5-Thiazolecarboxylic acid, 2-(3-cyano-4-(2-methylpropoxy)phenyl)-4-methyl-, ethyl ester
CID 9884549
Ethyl 2-(4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 135509402
5-Thiazolecarboxamide, 2-(4-methoxyphenyl)-4-methyl-
CID 3068075

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 4962843) is 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is COc1ccc(-c2nc(C)c(C(=O)O)s2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is HWHHZTHVYFDJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-7-10(12(14)15)17-11(13-7)8-3-5-9(16-2)6-4-8/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-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-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 4962843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).