1-[5-(2-fluorophenyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone

C17H15FN2OS — CID 11347560

IUPAC1-[5-(2-fluorophenyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2F)SC1(C)c1ccccc1
InChIInChI=1S/C17H15FN2OS/c1-12(21)20-17(2,13-8-4-3-5-9-13)22-16(19-20)14-10-6-7-11-15(14)18/h3-11H,1-2H3
InChIKeyLTTWLOZITGARMF-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.96
Rot. Bonds2

About 1-[5-(2-fluorophenyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone

1-[5-(2-fluorophenyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone (PubChem CID 11347560) has the molecular formula C17H15FN2OS and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone
PubChem CID11347560
Molecular FormulaC17H15FN2OS
Molecular Weight314.39 g/mol
Exact Mass314.09
IUPAC Name1-[5-(2-fluorophenyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone
SMILESCC(=O)N1N=C(c2ccccc2F)SC1(C)c1ccccc1
InChIInChI=1S/C17H15FN2OS/c1-12(21)20-17(2,13-8-4-3-5-9-13)22-16(19-20)14-10-6-7-11-15(14)18/h3-11H,1-2H3
InChIKeyLTTWLOZITGARMF-UHFFFAOYSA-N
XLogP3.96
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-(2-fluorophenyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone 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 1-[5-(2-fluorophenyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone?
The IUPAC name of 1-[5-(2-fluorophenyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone (CID 11347560) is 1-[5-(2-fluorophenyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(2-fluorophenyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone is CC(=O)N1N=C(c2ccccc2F)SC1(C)c1ccccc1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone?
The InChIKey is LTTWLOZITGARMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2OS/c1-12(21)20-17(2,13-8-4-3-5-9-13)22-16(19-20)14-10-6-7-11-15(14)18/h3-11H,1-2H3.
What are the key properties of 1-[5-(2-fluorophenyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone?
1-[5-(2-fluorophenyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone has a molecular weight of 314.39 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-2-methyl-2-phenyl-1,3,4-thiadiazol-3-yl]ethanone is sourced from PubChem (CID 11347560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).