2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide

C12H10F3N3OS — CID 7150977

IUPAC2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nccn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3OS/c13-12(14,15)8-2-1-3-9(6-8)18-5-4-17-11(18)20-7-10(16)19/h1-6H,7H2,(H2,16,19)
InChIKeyMNSNBOIEHZSLQS-UHFFFAOYSA-N
MW301.29 g/mol
LogP2.47
Rot. Bonds4

About 2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide

2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide (PubChem CID 7150977) has the molecular formula C12H10F3N3OS and a molecular weight of 301.29 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide
PubChem CID7150977
Molecular FormulaC12H10F3N3OS
Molecular Weight301.29 g/mol
Exact Mass301.05
IUPAC Name2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide
SMILESNC(=O)CSc1nccn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N3OS/c13-12(14,15)8-2-1-3-9(6-8)18-5-4-17-11(18)20-7-10(16)19/h1-6H,7H2,(H2,16,19)
InChIKeyMNSNBOIEHZSLQS-UHFFFAOYSA-N
XLogP2.47
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide 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-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide?
The IUPAC name of 2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide (CID 7150977) is 2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide is NC(=O)CSc1nccn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide?
The InChIKey is MNSNBOIEHZSLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3OS/c13-12(14,15)8-2-1-3-9(6-8)18-5-4-17-11(18)20-7-10(16)19/h1-6H,7H2,(H2,16,19).
What are the key properties of 2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide?
2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide has a molecular weight of 301.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)phenyl]imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7150977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).