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

C10H9F3N2O2S — CID 82035948

IUPAC6-ethyl-5-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCc1nc2sc(C(=O)O)c(C(F)(F)F)n2c1C
InChIInChI=1S/C10H9F3N2O2S/c1-3-5-4(2)15-7(10(11,12)13)6(8(16)17)18-9(15)14-5/h3H2,1-2H3,(H,16,17)
InChIKeyPTRMMIZJENLWGK-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.98
Rot. Bonds2

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

6-ethyl-5-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (PubChem CID 82035948) has the molecular formula C10H9F3N2O2S and a molecular weight of 278.25 g/mol. Its IUPAC name is 6-ethyl-5-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-5-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
PubChem CID82035948
Molecular FormulaC10H9F3N2O2S
Molecular Weight278.25 g/mol
Exact Mass278.03
IUPAC Name6-ethyl-5-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
SMILESCCc1nc2sc(C(=O)O)c(C(F)(F)F)n2c1C
InChIInChI=1S/C10H9F3N2O2S/c1-3-5-4(2)15-7(10(11,12)13)6(8(16)17)18-9(15)14-5/h3H2,1-2H3,(H,16,17)
InChIKeyPTRMMIZJENLWGK-UHFFFAOYSA-N
XLogP2.98
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The IUPAC name of 6-ethyl-5-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid (CID 82035948) is 6-ethyl-5-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid.
What is the SMILES notation for 6-ethyl-5-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The canonical SMILES for 6-ethyl-5-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is CCc1nc2sc(C(=O)O)c(C(F)(F)F)n2c1C.
What is the InChIKey of 6-ethyl-5-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
The InChIKey is PTRMMIZJENLWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2S/c1-3-5-4(2)15-7(10(11,12)13)6(8(16)17)18-9(15)14-5/h3H2,1-2H3,(H,16,17).
What are the key properties of 6-ethyl-5-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid?
6-ethyl-5-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid has a molecular weight of 278.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid is sourced from PubChem (CID 82035948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).