5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine

C10H8F3N3S — CID 68763516

IUPAC5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C10H8F3N3S/c11-10(12,13)7-4-2-1-3-6(7)5-8-15-16-9(14)17-8/h1-4H,5H2,(H2,14,16)
InChIKeyZPQHXLZHCBIACK-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.73
Rot. Bonds2

About 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine

5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 68763516) has the molecular formula C10H8F3N3S and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID68763516
Molecular FormulaC10H8F3N3S
Molecular Weight259.26 g/mol
Exact Mass259.04
IUPAC Name5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C10H8F3N3S/c11-10(12,13)7-4-2-1-3-6(7)5-8-15-16-9(14)17-8/h1-4H,5H2,(H2,14,16)
InChIKeyZPQHXLZHCBIACK-UHFFFAOYSA-N
XLogP2.73
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine 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 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine (CID 68763516) is 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(Cc2ccccc2C(F)(F)F)s1.
What is the InChIKey of 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is ZPQHXLZHCBIACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3S/c11-10(12,13)7-4-2-1-3-6(7)5-8-15-16-9(14)17-8/h1-4H,5H2,(H2,14,16).
What are the key properties of 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine?
5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 259.26 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 68763516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).