7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid

C11H4ClF3N2O3S — CID 118971303

IUPAC7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)sc1cc(OC(F)(F)F)c(Cl)cc12
InChIInChI=1S/C11H4ClF3N2O3S/c12-4-1-6-8(2-7(4)20-11(13,14)15)21-10-16-5(9(18)19)3-17(6)10/h1-3H,(H,18,19)
InChIKeyBBQXMSQNDIPJFP-UHFFFAOYSA-N
MW336.68 g/mol
LogP3.80
Rot. Bonds2

About 7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid

7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid (PubChem CID 118971303) has the molecular formula C11H4ClF3N2O3S and a molecular weight of 336.68 g/mol. Its IUPAC name is 7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
PubChem CID118971303
Molecular FormulaC11H4ClF3N2O3S
Molecular Weight336.68 g/mol
Exact Mass335.96
IUPAC Name7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid
SMILESO=C(O)c1cn2c(n1)sc1cc(OC(F)(F)F)c(Cl)cc12
InChIInChI=1S/C11H4ClF3N2O3S/c12-4-1-6-8(2-7(4)20-11(13,14)15)21-10-16-5(9(18)19)3-17(6)10/h1-3H,(H,18,19)
InChIKeyBBQXMSQNDIPJFP-UHFFFAOYSA-N
XLogP3.80
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.68
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The IUPAC name of 7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid (CID 118971303) is 7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid.
What is the SMILES notation for 7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The canonical SMILES for 7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid is O=C(O)c1cn2c(n1)sc1cc(OC(F)(F)F)c(Cl)cc12.
What is the InChIKey of 7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
The InChIKey is BBQXMSQNDIPJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF3N2O3S/c12-4-1-6-8(2-7(4)20-11(13,14)15)21-10-16-5(9(18)19)3-17(6)10/h1-3H,(H,18,19).
What are the key properties of 7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid?
7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid has a molecular weight of 336.68 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(trifluoromethoxy)imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid is sourced from PubChem (CID 118971303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).