3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

C14H12N2O2S2 — CID 3998124

IUPAC3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCSc1ccc(C)cc1-c1csc2nc(C(=O)O)cn12
InChIInChI=1S/C14H12N2O2S2/c1-8-3-4-12(19-2)9(5-8)11-7-20-14-15-10(13(17)18)6-16(11)14/h3-7H,1-2H3,(H,17,18)
InChIKeyJHZHFNKMLKMHIS-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.79
Rot. Bonds3

About 3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid

3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 3998124) has the molecular formula C14H12N2O2S2 and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID3998124
Molecular FormulaC14H12N2O2S2
Molecular Weight304.40 g/mol
Exact Mass304.03
IUPAC Name3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCSc1ccc(C)cc1-c1csc2nc(C(=O)O)cn12
InChIInChI=1S/C14H12N2O2S2/c1-8-3-4-12(19-2)9(5-8)11-7-20-14-15-10(13(17)18)6-16(11)14/h3-7H,1-2H3,(H,17,18)
InChIKeyJHZHFNKMLKMHIS-UHFFFAOYSA-N
XLogP3.79
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4263024
3-(4,5-dimethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4685203
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-(4-ethoxy-2-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4566367
3-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3884103
3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4014477
3-(2-methoxy-5-propylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4651407
3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3918771
3-tert-butylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3592722
5-(4-methyl-2-methylsulfanylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117375884
3-ethylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 55265116

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 3998124) is 3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is CSc1ccc(C)cc1-c1csc2nc(C(=O)O)cn12.
What is the InChIKey of 3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is JHZHFNKMLKMHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2S2/c1-8-3-4-12(19-2)9(5-8)11-7-20-14-15-10(13(17)18)6-16(11)14/h3-7H,1-2H3,(H,17,18).
What are the key properties of 3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 304.40 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-methylsulfanylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 3998124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).