2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]acetamide

C7H8F3N3OS — CID 57129056

IUPAC2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]acetamide
SMILESO=C(NCC(S)c1ncc[nH]1)C(F)(F)F
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)6(14)13-3-4(15)5-11-1-2-12-5/h1-2,4,15H,3H2,(H,11,12)(H,13,14)
InChIKeyHNDUXMRHMXZSAZ-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.06
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]acetamide

2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]acetamide (PubChem CID 57129056) has the molecular formula C7H8F3N3OS and a molecular weight of 239.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]acetamide
PubChem CID57129056
Molecular FormulaC7H8F3N3OS
Molecular Weight239.22 g/mol
Exact Mass239.03
IUPAC Name2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]acetamide
SMILESO=C(NCC(S)c1ncc[nH]1)C(F)(F)F
InChIInChI=1S/C7H8F3N3OS/c8-7(9,10)6(14)13-3-4(15)5-11-1-2-12-5/h1-2,4,15H,3H2,(H,11,12)(H,13,14)
InChIKeyHNDUXMRHMXZSAZ-UHFFFAOYSA-N
XLogP1.06
TPSA57.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]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 2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]acetamide (CID 57129056) is 2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]acetamide is O=C(NCC(S)c1ncc[nH]1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]acetamide?
The InChIKey is HNDUXMRHMXZSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3OS/c8-7(9,10)6(14)13-3-4(15)5-11-1-2-12-5/h1-2,4,15H,3H2,(H,11,12)(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]acetamide?
2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]acetamide has a molecular weight of 239.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(1H-imidazol-2-yl)-2-sulfanylethyl]acetamide is sourced from PubChem (CID 57129056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).