6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid

C11H5F3N2O2S — CID 10446679

IUPAC6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)sc1cc(C(F)(F)F)ccc12
InChIInChI=1S/C11H5F3N2O2S/c12-11(13,14)5-1-2-7-8(3-5)19-10-15-6(9(17)18)4-16(7)10/h1-4H,(H,17,18)
InChIKeyHDQPMLQSRHCZHZ-UHFFFAOYSA-N
MW286.23 g/mol
LogP3.27
Rot. Bonds1

About 6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid

6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid (PubChem CID 10446679) has the molecular formula C11H5F3N2O2S and a molecular weight of 286.23 g/mol. Its IUPAC name is 6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
PubChem CID10446679
Molecular FormulaC11H5F3N2O2S
Molecular Weight286.23 g/mol
Exact Mass286.00
IUPAC Name6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)sc1cc(C(F)(F)F)ccc12
InChIInChI=1S/C11H5F3N2O2S/c12-11(13,14)5-1-2-7-8(3-5)19-10-15-6(9(17)18)4-16(7)10/h1-4H,(H,17,18)
InChIKeyHDQPMLQSRHCZHZ-UHFFFAOYSA-N
XLogP3.27
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The IUPAC name of 6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid (CID 10446679) is 6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid.
What is the SMILES notation for 6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The canonical SMILES for 6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid is O=C(O)c1cn2c(n1)sc1cc(C(F)(F)F)ccc12.
What is the InChIKey of 6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The InChIKey is HDQPMLQSRHCZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N2O2S/c12-11(13,14)5-1-2-7-8(3-5)19-10-15-6(9(17)18)4-16(7)10/h1-4H,(H,17,18).
What are the key properties of 6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid has a molecular weight of 286.23 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid is sourced from PubChem (CID 10446679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).