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

C4H5F2N3S — CID 105432589

IUPAC3-(1,1-difluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(F)(F)c1nsc(N)n1
InChIInChI=1S/C4H5F2N3S/c1-4(5,6)2-8-3(7)10-9-2/h1H3,(H2,7,8,9)
InChIKeyHTFWGSVIFFMIMU-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.23
Rot. Bonds1

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

3-(1,1-difluoroethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 105432589) has the molecular formula C4H5F2N3S and a molecular weight of 165.17 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1,2,4-thiadiazol-5-amine
PubChem CID105432589
Molecular FormulaC4H5F2N3S
Molecular Weight165.17 g/mol
Exact Mass165.02
IUPAC Name3-(1,1-difluoroethyl)-1,2,4-thiadiazol-5-amine
SMILESCC(F)(F)c1nsc(N)n1
InChIInChI=1S/C4H5F2N3S/c1-4(5,6)2-8-3(7)10-9-2/h1H3,(H2,7,8,9)
InChIKeyHTFWGSVIFFMIMU-UHFFFAOYSA-N
XLogP1.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
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-(1,1-difluoroethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(1,1-difluoroethyl)-1,2,4-thiadiazol-5-amine (CID 105432589) is 3-(1,1-difluoroethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(1,1-difluoroethyl)-1,2,4-thiadiazol-5-amine is CC(F)(F)c1nsc(N)n1.
What is the InChIKey of 3-(1,1-difluoroethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HTFWGSVIFFMIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N3S/c1-4(5,6)2-8-3(7)10-9-2/h1H3,(H2,7,8,9).
What are the key properties of 3-(1,1-difluoroethyl)-1,2,4-thiadiazol-5-amine?
3-(1,1-difluoroethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 165.17 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-(1,1-difluoroethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 105432589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).