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

C15H9F4N3S — CID 163323064

IUPAC3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(-c2nsc(Nc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C15H9F4N3S/c16-11-5-1-9(2-6-11)13-21-14(23-22-13)20-12-7-3-10(4-8-12)15(17,18)19/h1-8H,(H,20,21,22)
InChIKeyFVUVLKWTBKAHDS-UHFFFAOYSA-N
MW339.32 g/mol
LogP5.11
Rot. Bonds3

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

3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine (PubChem CID 163323064) has the molecular formula C15H9F4N3S and a molecular weight of 339.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine
PubChem CID163323064
Molecular FormulaC15H9F4N3S
Molecular Weight339.32 g/mol
Exact Mass339.05
IUPAC Name3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine
SMILESFc1ccc(-c2nsc(Nc3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C15H9F4N3S/c16-11-5-1-9(2-6-11)13-21-14(23-22-13)20-12-7-3-10(4-8-12)15(17,18)19/h1-8H,(H,20,21,22)
InChIKeyFVUVLKWTBKAHDS-UHFFFAOYSA-N
XLogP5.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.32
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine (CID 163323064) is 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine is Fc1ccc(-c2nsc(Nc3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is FVUVLKWTBKAHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3S/c16-11-5-1-9(2-6-11)13-21-14(23-22-13)20-12-7-3-10(4-8-12)15(17,18)19/h1-8H,(H,20,21,22).
What are the key properties of 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine?
3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 339.32 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 163323064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).