2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid

C11H9F3N2O2S — CID 83086331

IUPAC2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nc2sc3c(n12)CCCC3
InChIInChI=1S/C11H9F3N2O2S/c12-11(13,14)8-7(9(17)18)16-5-3-1-2-4-6(5)19-10(16)15-8/h1-4H2,(H,17,18)
InChIKeyVQNARLCJUZAEDL-UHFFFAOYSA-N
MW290.27 g/mol
LogP2.99
Rot. Bonds1

About 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid

2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid (PubChem CID 83086331) has the molecular formula C11H9F3N2O2S and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid
PubChem CID83086331
Molecular FormulaC11H9F3N2O2S
Molecular Weight290.27 g/mol
Exact Mass290.03
IUPAC Name2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid
SMILESO=C(O)c1c(C(F)(F)F)nc2sc3c(n12)CCCC3
InChIInChI=1S/C11H9F3N2O2S/c12-11(13,14)8-7(9(17)18)16-5-3-1-2-4-6(5)19-10(16)15-8/h1-4H2,(H,17,18)
InChIKeyVQNARLCJUZAEDL-UHFFFAOYSA-N
XLogP2.99
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid (CID 83086331) is 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid is O=C(O)c1c(C(F)(F)F)nc2sc3c(n12)CCCC3.
What is the InChIKey of 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid?
The InChIKey is VQNARLCJUZAEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2S/c12-11(13,14)8-7(9(17)18)16-5-3-1-2-4-6(5)19-10(16)15-8/h1-4H2,(H,17,18).
What are the key properties of 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid?
2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid has a molecular weight of 290.27 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carboxylic acid is sourced from PubChem (CID 83086331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).