3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

C14H12N2O2S — CID 4263024

IUPAC3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCc1ccc(-c2csc3nc(C(=O)O)cn23)c(C)c1
InChIInChI=1S/C14H12N2O2S/c1-8-3-4-10(9(2)5-8)12-7-19-14-15-11(13(17)18)6-16(12)14/h3-7H,1-2H3,(H,17,18)
InChIKeyWFHJTRAOAAUFMH-UHFFFAOYSA-N
MW272.33 g/mol
LogP3.38
Rot. Bonds2

About 3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 4263024) has the molecular formula C14H12N2O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID4263024
Molecular FormulaC14H12N2O2S
Molecular Weight272.33 g/mol
Exact Mass272.06
IUPAC Name3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCc1ccc(-c2csc3nc(C(=O)O)cn23)c(C)c1
InChIInChI=1S/C14H12N2O2S/c1-8-3-4-10(9(2)5-8)12-7-19-14-15-11(13(17)18)6-16(12)14/h3-7H,1-2H3,(H,17,18)
InChIKeyWFHJTRAOAAUFMH-UHFFFAOYSA-N
XLogP3.38
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3998124
3-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4566367
3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4685203
6-(chloromethyl)-3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole
CID 82061936
3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3884103
3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3338842
3-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3571662
3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4651407
3-(2,4,5-trimethylphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 82483165
3-(2,4-dimethylphenyl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazin-7-one
CID 141198279
3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3918771
5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 43671773

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 4263024) is 3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is Cc1ccc(-c2csc3nc(C(=O)O)cn23)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is WFHJTRAOAAUFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S/c1-8-3-4-10(9(2)5-8)12-7-19-14-15-11(13(17)18)6-16(12)14/h3-7H,1-2H3,(H,17,18).
What are the key properties of 3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 272.33 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 4263024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).