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

C7H10F3N3OS2 — CID 126822913

IUPAC3-ethyl-N-[2-(trifluoromethylsulfinyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCS(=O)C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3OS2/c1-2-5-12-6(15-13-5)11-3-4-16(14)7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyMOQJQMGOBMHKMF-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.78
Rot. Bonds5

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

3-ethyl-N-[2-(trifluoromethylsulfinyl)ethyl]-1,2,4-thiadiazol-5-amine (PubChem CID 126822913) has the molecular formula C7H10F3N3OS2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-ethyl-N-[2-(trifluoromethylsulfinyl)ethyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-ethyl-N-[2-(trifluoromethylsulfinyl)ethyl]-1,2,4-thiadiazol-5-amine
PubChem CID126822913
Molecular FormulaC7H10F3N3OS2
Molecular Weight273.31 g/mol
Exact Mass273.02
IUPAC Name3-ethyl-N-[2-(trifluoromethylsulfinyl)ethyl]-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCCS(=O)C(F)(F)F)n1
InChIInChI=1S/C7H10F3N3OS2/c1-2-5-12-6(15-13-5)11-3-4-16(14)7(8,9)10/h2-4H2,1H3,(H,11,12,13)
InChIKeyMOQJQMGOBMHKMF-UHFFFAOYSA-N
XLogP1.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(trifluoromethylsulfinyl)ethyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-ethyl-N-[2-(trifluoromethylsulfinyl)ethyl]-1,2,4-thiadiazol-5-amine (CID 126822913) is 3-ethyl-N-[2-(trifluoromethylsulfinyl)ethyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-ethyl-N-[2-(trifluoromethylsulfinyl)ethyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-ethyl-N-[2-(trifluoromethylsulfinyl)ethyl]-1,2,4-thiadiazol-5-amine is CCc1nsc(NCCS(=O)C(F)(F)F)n1.
What is the InChIKey of 3-ethyl-N-[2-(trifluoromethylsulfinyl)ethyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is MOQJQMGOBMHKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3OS2/c1-2-5-12-6(15-13-5)11-3-4-16(14)7(8,9)10/h2-4H2,1H3,(H,11,12,13).
What are the key properties of 3-ethyl-N-[2-(trifluoromethylsulfinyl)ethyl]-1,2,4-thiadiazol-5-amine?
3-ethyl-N-[2-(trifluoromethylsulfinyl)ethyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 273.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(trifluoromethylsulfinyl)ethyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126822913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).