3,3,3-trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid

C11H10F3N3O3S — CID 79791667

IUPAC3,3,3-trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid
SMILESCC(NC(=O)Cc1cn2ccsc2n1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H10F3N3O3S/c1-10(8(19)20,11(12,13)14)16-7(18)4-6-5-17-2-3-21-9(17)15-6/h2-3,5H,4H2,1H3,(H,16,18)(H,19,20)
InChIKeyCBHDICBQULYFGS-UHFFFAOYSA-N
MW321.28 g/mol
LogP1.46
Rot. Bonds4

About 3,3,3-trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid

3,3,3-trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid (PubChem CID 79791667) has the molecular formula C11H10F3N3O3S and a molecular weight of 321.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid
PubChem CID79791667
Molecular FormulaC11H10F3N3O3S
Molecular Weight321.28 g/mol
Exact Mass321.04
IUPAC Name3,3,3-trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid
SMILESCC(NC(=O)Cc1cn2ccsc2n1)(C(=O)O)C(F)(F)F
InChIInChI=1S/C11H10F3N3O3S/c1-10(8(19)20,11(12,13)14)16-7(18)4-6-5-17-2-3-21-9(17)15-6/h2-3,5H,4H2,1H3,(H,16,18)(H,19,20)
InChIKeyCBHDICBQULYFGS-UHFFFAOYSA-N
XLogP1.46
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3,3,3-trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid (CID 79791667) is 3,3,3-trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid is CC(NC(=O)Cc1cn2ccsc2n1)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid?
The InChIKey is CBHDICBQULYFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3S/c1-10(8(19)20,11(12,13)14)16-7(18)4-6-5-17-2-3-21-9(17)15-6/h2-3,5H,4H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 3,3,3-trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid?
3,3,3-trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid has a molecular weight of 321.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 79791667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).