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

C9H8F3N3O2S — CID 60891760

IUPAC6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCN(CC(F)(F)F)c1nc2sccn2c1C(=O)O
InChIInChI=1S/C9H8F3N3O2S/c1-14(4-9(10,11)12)6-5(7(16)17)15-2-3-18-8(15)13-6/h2-3H,4H2,1H3,(H,16,17)
InChIKeyCUJXZNOKAKTKAD-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.09
Rot. Bonds3

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

6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 60891760) has the molecular formula C9H8F3N3O2S and a molecular weight of 279.24 g/mol. Its IUPAC name is 6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID60891760
Molecular FormulaC9H8F3N3O2S
Molecular Weight279.24 g/mol
Exact Mass279.03
IUPAC Name6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESCN(CC(F)(F)F)c1nc2sccn2c1C(=O)O
InChIInChI=1S/C9H8F3N3O2S/c1-14(4-9(10,11)12)6-5(7(16)17)15-2-3-18-8(15)13-6/h2-3H,4H2,1H3,(H,16,17)
InChIKeyCUJXZNOKAKTKAD-UHFFFAOYSA-N
XLogP2.09
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 60891760) is 6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is CN(CC(F)(F)F)c1nc2sccn2c1C(=O)O.
What is the InChIKey of 6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is CUJXZNOKAKTKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O2S/c1-14(4-9(10,11)12)6-5(7(16)17)15-2-3-18-8(15)13-6/h2-3H,4H2,1H3,(H,16,17).
What are the key properties of 6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 279.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(2,2,2-trifluoroethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 60891760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).