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

C10H14F3N3OS — CID 113245122

IUPACN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCc1cnc(CNC(=O)CNCC(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS/c1-2-7-3-16-9(18-7)5-15-8(17)4-14-6-10(11,12)13/h3,14H,2,4-6H2,1H3,(H,15,17)
InChIKeyZVCLOWMGUZQENI-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.47
Rot. Bonds6

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

N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 113245122) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID113245122
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC NameN-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCCc1cnc(CNC(=O)CNCC(F)(F)F)s1
InChIInChI=1S/C10H14F3N3OS/c1-2-7-3-16-9(18-7)5-15-8(17)4-14-6-10(11,12)13/h3,14H,2,4-6H2,1H3,(H,15,17)
InChIKeyZVCLOWMGUZQENI-UHFFFAOYSA-N
XLogP1.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-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-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 113245122) is N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is CCc1cnc(CNC(=O)CNCC(F)(F)F)s1.
What is the InChIKey of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is ZVCLOWMGUZQENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c1-2-7-3-16-9(18-7)5-15-8(17)4-14-6-10(11,12)13/h3,14H,2,4-6H2,1H3,(H,15,17).
What are the key properties of N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 281.30 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 113245122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).