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

C5H6F4N4S — CID 106296012

IUPAC5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C5H6F4N4S/c6-2(7)5(8,9)1-11-4-12-3(10)13-14-4/h2H,1H2,(H3,10,11,12,13)
InChIKeyHFAQJQGMTAMTTR-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.43
Rot. Bonds4

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

5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 106296012) has the molecular formula C5H6F4N4S and a molecular weight of 230.19 g/mol. Its IUPAC name is 5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID106296012
Molecular FormulaC5H6F4N4S
Molecular Weight230.19 g/mol
Exact Mass230.02
IUPAC Name5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCC(F)(F)C(F)F)n1
InChIInChI=1S/C5H6F4N4S/c6-2(7)5(8,9)1-11-4-12-3(10)13-14-4/h2H,1H2,(H3,10,11,12,13)
InChIKeyHFAQJQGMTAMTTR-UHFFFAOYSA-N
XLogP1.43
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine (CID 106296012) is 5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NCC(F)(F)C(F)F)n1.
What is the InChIKey of 5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is HFAQJQGMTAMTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4N4S/c6-2(7)5(8,9)1-11-4-12-3(10)13-14-4/h2H,1H2,(H3,10,11,12,13).
What are the key properties of 5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 230.19 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 106296012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).