3-tert-butyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C11H11F3N2O2S — CID 82035841

IUPAC3-tert-butyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCC(C)(C)c1csc2nc(C(F)(F)F)c(C(=O)O)n12
InChIInChI=1S/C11H11F3N2O2S/c1-10(2,3)5-4-19-9-15-7(11(12,13)14)6(8(17)18)16(5)9/h4H,1-3H3,(H,17,18)
InChIKeyMNKMLDQIIARJSL-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.41
Rot. Bonds1

About 3-tert-butyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

3-tert-butyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 82035841) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is 3-tert-butyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID82035841
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC Name3-tert-butyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCC(C)(C)c1csc2nc(C(F)(F)F)c(C(=O)O)n12
InChIInChI=1S/C11H11F3N2O2S/c1-10(2,3)5-4-19-9-15-7(11(12,13)14)6(8(17)18)16(5)9/h4H,1-3H3,(H,17,18)
InChIKeyMNKMLDQIIARJSL-UHFFFAOYSA-N
XLogP3.41
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 3-tert-butyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 82035841) is 3-tert-butyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 3-tert-butyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CC(C)(C)c1csc2nc(C(F)(F)F)c(C(=O)O)n12.
What is the InChIKey of 3-tert-butyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is MNKMLDQIIARJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c1-10(2,3)5-4-19-9-15-7(11(12,13)14)6(8(17)18)16(5)9/h4H,1-3H3,(H,17,18).
What are the key properties of 3-tert-butyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
3-tert-butyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 292.28 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 82035841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).