5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid

C12H11NO2S — CID 106510392

IUPAC5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCc1cccc(C)c1-c1scnc1C(=O)O
InChIInChI=1S/C12H11NO2S/c1-7-4-3-5-8(2)9(7)11-10(12(14)15)13-6-16-11/h3-6H,1-2H3,(H,14,15)
InChIKeyFGFOYPNWVWJLJE-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.13
Rot. Bonds2

About 5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid

5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 106510392) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID106510392
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCc1cccc(C)c1-c1scnc1C(=O)O
InChIInChI=1S/C12H11NO2S/c1-7-4-3-5-8(2)9(7)11-10(12(14)15)13-6-16-11/h3-6H,1-2H3,(H,14,15)
InChIKeyFGFOYPNWVWJLJE-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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Related Compounds

5-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 64628867
5-(2-chloro-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 53271819
methyl 5-(2-methylphenyl)-1,3-thiazole-4-carboxylate
CID 53271159
5-(4-cyanophenyl)-1,3-thiazole-4-carboxylic acid
CID 168950758
5-[4-(bromomethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 57279552
5-(2-phenylethenyl)-1,3-thiazole-4-carboxylic acid
CID 174437108
4-methyl-1,2-benzothiazole-3-carboxylic acid
CID 119091223
5-(2-methyltetrazol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 164653809
5-(1-phenylethyl)-1,3-thiazole-4-carboxylic acid
CID 102547306
5-(3-chloro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510457
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510431

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid (CID 106510392) is 5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid is Cc1cccc(C)c1-c1scnc1C(=O)O.
What is the InChIKey of 5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is FGFOYPNWVWJLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-7-4-3-5-8(2)9(7)11-10(12(14)15)13-6-16-11/h3-6H,1-2H3,(H,14,15).
What are the key properties of 5-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid?
5-(2,6-dimethylphenyl)-1,3-thiazole-4-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-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106510392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).