N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

C11H16F3N3OS — CID 112696814

IUPACN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCc1cnc(C(C)NC(=O)CNCC(F)(F)F)s1
InChIInChI=1S/C11H16F3N3OS/c1-3-8-4-16-10(19-8)7(2)17-9(18)5-15-6-11(12,13)14/h4,7,15H,3,5-6H2,1-2H3,(H,17,18)
InChIKeyIIZQBWGYHQIJGS-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.03
Rot. Bonds6

About N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 112696814) has the molecular formula C11H16F3N3OS and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID112696814
Molecular FormulaC11H16F3N3OS
Molecular Weight295.33 g/mol
Exact Mass295.10
IUPAC NameN-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCc1cnc(C(C)NC(=O)CNCC(F)(F)F)s1
InChIInChI=1S/C11H16F3N3OS/c1-3-8-4-16-10(19-8)7(2)17-9(18)5-15-6-11(12,13)14/h4,7,15H,3,5-6H2,1-2H3,(H,17,18)
InChIKeyIIZQBWGYHQIJGS-UHFFFAOYSA-N
XLogP2.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide 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 N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 112696814) is N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is CCc1cnc(C(C)NC(=O)CNCC(F)(F)F)s1.
What is the InChIKey of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is IIZQBWGYHQIJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3OS/c1-3-8-4-16-10(19-8)7(2)17-9(18)5-15-6-11(12,13)14/h4,7,15H,3,5-6H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 295.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 112696814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).