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

C9H7F3N2O2S — CID 82035974

IUPAC5,6-dimethyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1nc2sc(C(=O)O)c(C(F)(F)F)n2c1C
InChIInChI=1S/C9H7F3N2O2S/c1-3-4(2)14-6(9(10,11)12)5(7(15)16)17-8(14)13-3/h1-2H3,(H,15,16)
InChIKeyJJQUVNTZIBLXAV-UHFFFAOYSA-N
MW264.23 g/mol
LogP2.73
Rot. Bonds1

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

5,6-dimethyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035974) has the molecular formula C9H7F3N2O2S and a molecular weight of 264.23 g/mol. Its IUPAC name is 5,6-dimethyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035974
Molecular FormulaC9H7F3N2O2S
Molecular Weight264.23 g/mol
Exact Mass264.02
IUPAC Name5,6-dimethyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCc1nc2sc(C(=O)O)c(C(F)(F)F)n2c1C
InChIInChI=1S/C9H7F3N2O2S/c1-3-4(2)14-6(9(10,11)12)5(7(15)16)17-8(14)13-3/h1-2H3,(H,15,16)
InChIKeyJJQUVNTZIBLXAV-UHFFFAOYSA-N
XLogP2.73
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 5,6-dimethyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035974) is 5,6-dimethyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is Cc1nc2sc(C(=O)O)c(C(F)(F)F)n2c1C.
What is the InChIKey of 5,6-dimethyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is JJQUVNTZIBLXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2S/c1-3-4(2)14-6(9(10,11)12)5(7(15)16)17-8(14)13-3/h1-2H3,(H,15,16).
What are the key properties of 5,6-dimethyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
5,6-dimethyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 264.23 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).