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

C17H18N2O2S — CID 39200580

IUPAC6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCCc1c(C(=O)O)sc2nc(-c3ccc(C)c(C)c3)cn12
InChIInChI=1S/C17H18N2O2S/c1-4-5-14-15(16(20)21)22-17-18-13(9-19(14)17)12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3,(H,20,21)
InChIKeyMOHCAZLLVJTZOZ-UHFFFAOYSA-N
MW314.41 g/mol
LogP4.33
Rot. Bonds4

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

6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 39200580) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID39200580
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCCc1c(C(=O)O)sc2nc(-c3ccc(C)c(C)c3)cn12
InChIInChI=1S/C17H18N2O2S/c1-4-5-14-15(16(20)21)22-17-18-13(9-19(14)17)12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3,(H,20,21)
InChIKeyMOHCAZLLVJTZOZ-UHFFFAOYSA-N
XLogP4.33
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 39200580) is 6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CCCc1c(C(=O)O)sc2nc(-c3ccc(C)c(C)c3)cn12.
What is the InChIKey of 6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is MOHCAZLLVJTZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-4-5-14-15(16(20)21)22-17-18-13(9-19(14)17)12-7-6-10(2)11(3)8-12/h6-9H,4-5H2,1-3H3,(H,20,21).
What are the key properties of 6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 314.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 39200580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).