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

C11H9NO2S — CID 2794795

IUPAC2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)
InChIKeyMTVWIZYQYPRZGZ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.82
Rot. Bonds2

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

2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 2794795) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID2794795
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(-c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14)
InChIKeyMTVWIZYQYPRZGZ-UHFFFAOYSA-N
XLogP2.82
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-methylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 20987125
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid
CID 79979819
[2-(4-methylphenyl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
CID 17474442
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20984187
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 75486944
2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid
CID 130581375
2-[4-(2-methylprop-2-enylsulfanylmethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 82178460
2-[4-(3-methylbutanoylamino)phenyl]-1,3-thiazole-4-carboxylic acid
CID 39163939
N-(2-hydroxyethyl)-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 110886106

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid (CID 2794795) is 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid is Cc1ccc(-c2nc(C(=O)O)cs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is MTVWIZYQYPRZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14).
What are the key properties of 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid?
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 219.27 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 2794795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).