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

C10H11F3N2O2S — CID 144779886

IUPACethane;5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCC.Cc1c(C(=O)O)nc2sc(C(F)(F)F)cn12
InChIInChI=1S/C8H5F3N2O2S.C2H6/c1-3-5(6(14)15)12-7-13(3)2-4(16-7)8(9,10)11;1-2/h2H,1H3,(H,14,15);1-2H3
InChIKeyLLBZNEKPGFGRGA-UHFFFAOYSA-N
MW280.27 g/mol
LogP3.45
Rot. Bonds1

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

ethane;5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (PubChem CID 144779886) has the molecular formula C10H11F3N2O2S and a molecular weight of 280.27 g/mol. Its IUPAC name is ethane;5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.

Molecular Properties

Compound Nameethane;5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
PubChem CID144779886
Molecular FormulaC10H11F3N2O2S
Molecular Weight280.27 g/mol
Exact Mass280.05
IUPAC Nameethane;5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
SMILESCC.Cc1c(C(=O)O)nc2sc(C(F)(F)F)cn12
InChIInChI=1S/C8H5F3N2O2S.C2H6/c1-3-5(6(14)15)12-7-13(3)2-4(16-7)8(9,10)11;1-2/h2H,1H3,(H,14,15);1-2H3
InChIKeyLLBZNEKPGFGRGA-UHFFFAOYSA-N
XLogP3.45
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The IUPAC name of ethane;5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid (CID 144779886) is ethane;5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid.
What is the SMILES notation for ethane;5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The canonical SMILES for ethane;5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is CC.Cc1c(C(=O)O)nc2sc(C(F)(F)F)cn12.
What is the InChIKey of ethane;5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
The InChIKey is LLBZNEKPGFGRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2S.C2H6/c1-3-5(6(14)15)12-7-13(3)2-4(16-7)8(9,10)11;1-2/h2H,1H3,(H,14,15);1-2H3.
What are the key properties of ethane;5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid?
ethane;5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid has a molecular weight of 280.27 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid is sourced from PubChem (CID 144779886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).