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

C16H16N2O2S — CID 82061889

IUPAC2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCc1sc2nc(C(=O)O)cn2c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H16N2O2S/c1-9(2)11-4-6-12(7-5-11)14-10(3)21-16-17-13(15(19)20)8-18(14)16/h4-9H,1-3H3,(H,19,20)
InChIKeyZACZGOOGMUCTAS-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.19
Rot. Bonds3

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

2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 82061889) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID82061889
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCc1sc2nc(C(=O)O)cn2c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C16H16N2O2S/c1-9(2)11-4-6-12(7-5-11)14-10(3)21-16-17-13(15(19)20)8-18(14)16/h4-9H,1-3H3,(H,19,20)
InChIKeyZACZGOOGMUCTAS-UHFFFAOYSA-N
XLogP4.19
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanamine
CID 82061892
2-methyl-6-phenyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 39200734
3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4014477
6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 68615554
3-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 142784458
6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
CID 10243643
8-methylimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
CID 10443929
7-chloroimidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
CID 118971242
6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82056508
2-methyl-N-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 96590591
3-[4-(2-methylpropyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 3918771
10-(4-propan-2-ylphenyl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene-3-carboxylic acid
CID 82030708

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of 2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 82061889) is 2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for 2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is Cc1sc2nc(C(=O)O)cn2c1-c1ccc(C(C)C)cc1.
What is the InChIKey of 2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is ZACZGOOGMUCTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-9(2)11-4-6-12(7-5-11)14-10(3)21-16-17-13(15(19)20)8-18(14)16/h4-9H,1-3H3,(H,19,20).
What are the key properties of 2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 300.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 82061889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).