N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine

C7H10F3N3S — CID 115520652

IUPACN-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CCCCNc1ncns1
InChIInChI=1S/C7H10F3N3S/c8-7(9,10)3-1-2-4-11-6-12-5-13-14-6/h5H,1-4H2,(H,11,12,13)
InChIKeyYZIYROPGCAARJQ-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.68
Rot. Bonds5

About N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine

N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine (PubChem CID 115520652) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine
PubChem CID115520652
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC NameN-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)CCCCNc1ncns1
InChIInChI=1S/C7H10F3N3S/c8-7(9,10)3-1-2-4-11-6-12-5-13-14-6/h5H,1-4H2,(H,11,12,13)
InChIKeyYZIYROPGCAARJQ-UHFFFAOYSA-N
XLogP2.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271024
N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274380
5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 66280544
N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104854570
N-(2,2,3,3-tetrafluoropropyl)-1,2,4-thiadiazol-5-amine
CID 106294323
2,2-difluoro-N'-(1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 114384378
N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 115407615
N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazol-5-amine
CID 115520544
5-N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazole-3,5-diamine
CID 115522982
5-N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazole-3,5-diamine
CID 115522983
N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine
CID 130592971
N-[2-(1-fluorocyclobutyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 130616600

Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine (CID 115520652) is N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)CCCCNc1ncns1.
What is the InChIKey of N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is YZIYROPGCAARJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c8-7(9,10)3-1-2-4-11-6-12-5-13-14-6/h5H,1-4H2,(H,11,12,13).
What are the key properties of N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine?
N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 225.24 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 115520652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).