N-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C10H15F3N4OS — CID 107305355

IUPACN-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCOC2CCNCC2)n1
InChIInChI=1S/C10H15F3N4OS/c11-10(12,13)8-16-9(19-17-8)15-5-6-18-7-1-3-14-4-2-7/h7,14H,1-6H2,(H,15,16,17)
InChIKeyHGDWJVXEEYKTNF-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.74
Rot. Bonds5

About N-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305355) has the molecular formula C10H15F3N4OS and a molecular weight of 296.32 g/mol. Its IUPAC name is N-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305355
Molecular FormulaC10H15F3N4OS
Molecular Weight296.32 g/mol
Exact Mass296.09
IUPAC NameN-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCOC2CCNCC2)n1
InChIInChI=1S/C10H15F3N4OS/c11-10(12,13)8-16-9(19-17-8)15-5-6-18-7-1-3-14-4-2-7/h7,14H,1-6H2,(H,15,16,17)
InChIKeyHGDWJVXEEYKTNF-UHFFFAOYSA-N
XLogP1.74
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305355) is N-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCCOC2CCNCC2)n1.
What is the InChIKey of N-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is HGDWJVXEEYKTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4OS/c11-10(12,13)8-16-9(19-17-8)15-5-6-18-7-1-3-14-4-2-7/h7,14H,1-6H2,(H,15,16,17).
What are the key properties of N-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 296.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-4-yloxyethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).