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

C10H8F3N3S — CID 64543051

IUPAC5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H8F3N3S/c11-10(12,13)7-3-1-6(2-4-7)5-8-15-9(14)16-17-8/h1-4H,5H2,(H2,14,16)
InChIKeyLUZMSZIMSOUWLD-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.73
Rot. Bonds2

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

5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-amine (PubChem CID 64543051) has the molecular formula C10H8F3N3S and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-amine
PubChem CID64543051
Molecular FormulaC10H8F3N3S
Molecular Weight259.26 g/mol
Exact Mass259.04
IUPAC Name5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C10H8F3N3S/c11-10(12,13)7-3-1-6(2-4-7)5-8-15-9(14)16-17-8/h1-4H,5H2,(H2,14,16)
InChIKeyLUZMSZIMSOUWLD-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-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-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-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-amine (CID 64543051) is 5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-amine is Nc1nsc(Cc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-amine?
The InChIKey is LUZMSZIMSOUWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3S/c11-10(12,13)7-3-1-6(2-4-7)5-8-15-9(14)16-17-8/h1-4H,5H2,(H2,14,16).
What are the key properties of 5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-amine?
5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-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-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 64543051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).