4,4,4-trifluoro-3-hydroxy-N-methoxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide

C9H11F3N2O3S — CID 47842403

IUPAC4,4,4-trifluoro-3-hydroxy-N-methoxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCONC(=O)CC(O)(c1nc(C)cs1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O3S/c1-5-4-18-7(13-5)8(16,9(10,11)12)3-6(15)14-17-2/h4,16H,3H2,1-2H3,(H,14,15)
InChIKeyGGBIFOCZAJSIAJ-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.27
Rot. Bonds4

About 4,4,4-trifluoro-3-hydroxy-N-methoxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide

4,4,4-trifluoro-3-hydroxy-N-methoxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 47842403) has the molecular formula C9H11F3N2O3S and a molecular weight of 284.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-N-methoxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-N-methoxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID47842403
Molecular FormulaC9H11F3N2O3S
Molecular Weight284.26 g/mol
Exact Mass284.04
IUPAC Name4,4,4-trifluoro-3-hydroxy-N-methoxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCONC(=O)CC(O)(c1nc(C)cs1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O3S/c1-5-4-18-7(13-5)8(16,9(10,11)12)3-6(15)14-17-2/h4,16H,3H2,1-2H3,(H,14,15)
InChIKeyGGBIFOCZAJSIAJ-UHFFFAOYSA-N
XLogP1.27
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4,4,4-trifluoro-3-hydroxy-N-methoxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide 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 4,4,4-trifluoro-3-hydroxy-N-methoxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-N-methoxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 47842403) is 4,4,4-trifluoro-3-hydroxy-N-methoxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-N-methoxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-N-methoxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide is CONC(=O)CC(O)(c1nc(C)cs1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-N-methoxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is GGBIFOCZAJSIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3S/c1-5-4-18-7(13-5)8(16,9(10,11)12)3-6(15)14-17-2/h4,16H,3H2,1-2H3,(H,14,15).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-N-methoxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide?
4,4,4-trifluoro-3-hydroxy-N-methoxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 284.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-N-methoxy-3-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 47842403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).