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

C15H10F3N3S — CID 163323054

IUPAC3-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1ccc(Nc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C15H10F3N3S/c16-15(17,18)11-6-8-12(9-7-11)19-14-20-13(21-22-14)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)
InChIKeyDRYXVNUYCIPHMP-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.97
Rot. Bonds3

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

3-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine (PubChem CID 163323054) has the molecular formula C15H10F3N3S and a molecular weight of 321.33 g/mol. Its IUPAC name is 3-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine
PubChem CID163323054
Molecular FormulaC15H10F3N3S
Molecular Weight321.33 g/mol
Exact Mass321.05
IUPAC Name3-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1ccc(Nc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C15H10F3N3S/c16-15(17,18)11-6-8-12(9-7-11)19-14-20-13(21-22-14)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)
InChIKeyDRYXVNUYCIPHMP-UHFFFAOYSA-N
XLogP4.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine (CID 163323054) is 3-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine is FC(F)(F)c1ccc(Nc2nc(-c3ccccc3)ns2)cc1.
What is the InChIKey of 3-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is DRYXVNUYCIPHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3S/c16-15(17,18)11-6-8-12(9-7-11)19-14-20-13(21-22-14)10-4-2-1-3-5-10/h1-9H,(H,19,20,21).
What are the key properties of 3-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine?
3-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 321.33 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 163323054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).