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

C12H11NO2S — CID 79023710

IUPAC5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)sc2C)cc1
InChIInChI=1S/C12H11NO2S/c1-7-3-5-9(6-4-7)10-8(2)16-11(13-10)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyUCAMHPSEBAXJRT-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.13
Rot. Bonds2

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

5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid (PubChem CID 79023710) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid
PubChem CID79023710
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)sc2C)cc1
InChIInChI=1S/C12H11NO2S/c1-7-3-5-9(6-4-7)10-8(2)16-11(13-10)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyUCAMHPSEBAXJRT-UHFFFAOYSA-N
XLogP3.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid (CID 79023710) is 5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid is Cc1ccc(-c2nc(C(=O)O)sc2C)cc1.
What is the InChIKey of 5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid?
The InChIKey is UCAMHPSEBAXJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-7-3-5-9(6-4-7)10-8(2)16-11(13-10)12(14)15/h3-6H,1-2H3,(H,14,15).
What are the key properties of 5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid?
5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid has a molecular weight of 233.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-methylphenyl)-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 79023710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).