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

C6H5F6N3S2 — CID 106430989

IUPAC3-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)SCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H5F6N3S2/c7-5(8,9)3-14-4(17-15-3)13-1-2-16-6(10,11)12/h1-2H2,(H,13,14,15)
InChIKeyGKIHYAKVHXQALW-UHFFFAOYSA-N
MW297.25 g/mol
LogP3.22
Rot. Bonds4

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

3-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 106430989) has the molecular formula C6H5F6N3S2 and a molecular weight of 297.25 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID106430989
Molecular FormulaC6H5F6N3S2
Molecular Weight297.25 g/mol
Exact Mass296.98
IUPAC Name3-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)SCCNc1nc(C(F)(F)F)ns1
InChIInChI=1S/C6H5F6N3S2/c7-5(8,9)3-14-4(17-15-3)13-1-2-16-6(10,11)12/h1-2H2,(H,13,14,15)
InChIKeyGKIHYAKVHXQALW-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine (CID 106430989) is 3-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine is FC(F)(F)SCCNc1nc(C(F)(F)F)ns1.
What is the InChIKey of 3-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is GKIHYAKVHXQALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F6N3S2/c7-5(8,9)3-14-4(17-15-3)13-1-2-16-6(10,11)12/h1-2H2,(H,13,14,15).
What are the key properties of 3-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine?
3-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 297.25 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106430989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).