2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide

C10H14F3N3OS — CID 79805811

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1csc(NC(=O)C(C)(N)C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3OS/c1-5(2)6-4-18-8(15-6)16-7(17)9(3,14)10(11,12)13/h4-5H,14H2,1-3H3,(H,15,16,17)
InChIKeyXWWCMOYYEDXFMK-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.48
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 79805811) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID79805811
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
SMILESCC(C)c1csc(NC(=O)C(C)(N)C(F)(F)F)n1
InChIInChI=1S/C10H14F3N3OS/c1-5(2)6-4-18-8(15-6)16-7(17)9(3,14)10(11,12)13/h4-5H,14H2,1-3H3,(H,15,16,17)
InChIKeyXWWCMOYYEDXFMK-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide 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 2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide (CID 79805811) is 2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide is CC(C)c1csc(NC(=O)C(C)(N)C(F)(F)F)n1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is XWWCMOYYEDXFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-5(2)6-4-18-8(15-6)16-7(17)9(3,14)10(11,12)13/h4-5H,14H2,1-3H3,(H,15,16,17).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 281.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 79805811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).