3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C13H10N2O2S — CID 82225466

IUPAC3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1cccc(-c2c(C(=O)O)sc3nccn23)c1
InChIInChI=1S/C13H10N2O2S/c1-8-3-2-4-9(7-8)10-11(12(16)17)18-13-14-5-6-15(10)13/h2-7H,1H3,(H,16,17)
InChIKeyLTMXDAKGILASNB-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.07
Rot. Bonds2

About 3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid

3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82225466) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82225466
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1cccc(-c2c(C(=O)O)sc3nccn23)c1
InChIInChI=1S/C13H10N2O2S/c1-8-3-2-4-9(7-8)10-11(12(16)17)18-13-14-5-6-15(10)13/h2-7H,1H3,(H,16,17)
InChIKeyLTMXDAKGILASNB-UHFFFAOYSA-N
XLogP3.07
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82134582
3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid
CID 83036382
2-[3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanol
CID 94698491
1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 84609069
4-(3-methylphenyl)-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226923
2-methyl-1-(3-methylimidazo[2,1-b][1,3]thiazol-2-yl)propan-1-one
CID 112713651
2-[2-(3-methylphenyl)imidazol-1-yl]propanamide
CID 82559003
1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole
CID 110538672
2-[(dimethylamino)methyl]-4-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227413
1-(2,4-dimethylphenyl)-5-(3-methylphenyl)triazole-4-carboxylic acid
CID 94940423
4-(2-methylphenyl)-2-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 94970687
1-(2-carboxypropan-2-yl)-5-(3-methylphenyl)triazole-4-carboxylic acid
CID 82211907

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82225466) is 3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is Cc1cccc(-c2c(C(=O)O)sc3nccn23)c1.
What is the InChIKey of 3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is LTMXDAKGILASNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-8-3-2-4-9(7-8)10-11(12(16)17)18-13-14-5-6-15(10)13/h2-7H,1H3,(H,16,17).
What are the key properties of 3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 258.30 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82225466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).