6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

C16H16N2O2S — CID 39200635

IUPAC6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCc1ccc(-c2nc3sc(C(=O)O)c(C)n3c2C)cc1
InChIInChI=1S/C16H16N2O2S/c1-4-11-5-7-12(8-6-11)13-9(2)18-10(3)14(15(19)20)21-16(18)17-13/h5-8H,4H2,1-3H3,(H,19,20)
InChIKeyPPBOYDCXOTXGOZ-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.94
Rot. Bonds3

About 6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid

6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 39200635) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID39200635
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCc1ccc(-c2nc3sc(C(=O)O)c(C)n3c2C)cc1
InChIInChI=1S/C16H16N2O2S/c1-4-11-5-7-12(8-6-11)13-9(2)18-10(3)14(15(19)20)21-16(18)17-13/h5-8H,4H2,1-3H3,(H,19,20)
InChIKeyPPBOYDCXOTXGOZ-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 39200635) is 6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CCc1ccc(-c2nc3sc(C(=O)O)c(C)n3c2C)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is PPBOYDCXOTXGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-4-11-5-7-12(8-6-11)13-9(2)18-10(3)14(15(19)20)21-16(18)17-13/h5-8H,4H2,1-3H3,(H,19,20).
What are the key properties of 6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 300.38 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 39200635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).