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

C7H11F3N4S — CID 115522983

IUPAC5-N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCCCCC(F)(F)F)n1
InChIInChI=1S/C7H11F3N4S/c8-7(9,10)3-1-2-4-12-6-13-5(11)14-15-6/h1-4H2,(H3,11,12,13,14)
InChIKeyGGWWMQMXUDHAQH-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.26
Rot. Bonds5

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

5-N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 115522983) has the molecular formula C7H11F3N4S and a molecular weight of 240.25 g/mol. Its IUPAC name is 5-N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID115522983
Molecular FormulaC7H11F3N4S
Molecular Weight240.25 g/mol
Exact Mass240.07
IUPAC Name5-N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NCCCCC(F)(F)F)n1
InChIInChI=1S/C7H11F3N4S/c8-7(9,10)3-1-2-4-12-6-13-5(11)14-15-6/h1-4H2,(H3,11,12,13,14)
InChIKeyGGWWMQMXUDHAQH-UHFFFAOYSA-N
XLogP2.26
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-N-butyl-1,2,4-thiadiazole-3,5-diamine
CID 2803931
5-N-propyl-1,2,4-thiadiazole-3,5-diamine
CID 65440648
3-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine;hydrobromide
CID 21298776
3-(2,2,2-Trifluoroethyl)amino-5-amino-1,2,4-thiadiazole
CID 21298777
N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274380
5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278327
5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280544
5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 66281218
5-N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 105939502
1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,4-diamine
CID 106127410
5-N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 106296012
N'-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,3-diamine
CID 107304577

Frequently Asked Questions

What is the IUPAC name of 5-N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazole-3,5-diamine (CID 115522983) is 5-N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NCCCCC(F)(F)F)n1.
What is the InChIKey of 5-N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is GGWWMQMXUDHAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4S/c8-7(9,10)3-1-2-4-12-6-13-5(11)14-15-6/h1-4H2,(H3,11,12,13,14).
What are the key properties of 5-N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 240.25 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 115522983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).