5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine

C5H7F3N4S — CID 66280544

IUPAC5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCCC(F)(F)F)n1
InChIInChI=1S/C5H7F3N4S/c6-5(7,8)1-2-10-4-11-3(9)12-13-4/h1-2H2,(H3,9,10,11,12)
InChIKeyNCGGOLWGXRBMBH-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.48
Rot. Bonds3

About 5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine

5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66280544) has the molecular formula C5H7F3N4S and a molecular weight of 212.20 g/mol. Its IUPAC name is 5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66280544
Molecular FormulaC5H7F3N4S
Molecular Weight212.20 g/mol
Exact Mass212.03
IUPAC Name5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCCC(F)(F)F)n1
InChIInChI=1S/C5H7F3N4S/c6-5(7,8)1-2-10-4-11-3(9)12-13-4/h1-2H2,(H3,9,10,11,12)
InChIKeyNCGGOLWGXRBMBH-UHFFFAOYSA-N
XLogP1.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine (CID 66280544) is 5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NCCC(F)(F)F)n1.
What is the InChIKey of 5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is NCGGOLWGXRBMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4S/c6-5(7,8)1-2-10-4-11-3(9)12-13-4/h1-2H2,(H3,9,10,11,12).
What are the key properties of 5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 212.20 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66280544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).