3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine

C4H4F3N3S — CID 61392887

IUPAC3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(CC(F)(F)F)ns1
InChIInChI=1S/C4H4F3N3S/c5-4(6,7)1-2-9-3(8)11-10-2/h1H2,(H2,8,9,10)
InChIKeyGJEWNEJMZMSEJF-UHFFFAOYSA-N
MW183.16 g/mol
LogP1.23
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine

3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 61392887) has the molecular formula C4H4F3N3S and a molecular weight of 183.16 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
PubChem CID61392887
Molecular FormulaC4H4F3N3S
Molecular Weight183.16 g/mol
Exact Mass183.01
IUPAC Name3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESNc1nc(CC(F)(F)F)ns1
InChIInChI=1S/C4H4F3N3S/c5-4(6,7)1-2-9-3(8)11-10-2/h1H2,(H2,8,9,10)
InChIKeyGJEWNEJMZMSEJF-UHFFFAOYSA-N
XLogP1.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine (CID 61392887) is 3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine is Nc1nc(CC(F)(F)F)ns1.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is GJEWNEJMZMSEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N3S/c5-4(6,7)1-2-9-3(8)11-10-2/h1H2,(H2,8,9,10).
What are the key properties of 3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine?
3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 183.16 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 61392887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).