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

C11H17F3N4OS — CID 107305356

IUPACN-(3-piperidin-4-yloxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCCOC2CCNCC2)n1
InChIInChI=1S/C11H17F3N4OS/c12-11(13,14)9-17-10(20-18-9)16-4-1-7-19-8-2-5-15-6-3-8/h8,15H,1-7H2,(H,16,17,18)
InChIKeyJGIABKFRZQUMNG-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.13
Rot. Bonds6

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

N-(3-piperidin-4-yloxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305356) has the molecular formula C11H17F3N4OS and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(3-piperidin-4-yloxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-piperidin-4-yloxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305356
Molecular FormulaC11H17F3N4OS
Molecular Weight310.35 g/mol
Exact Mass310.11
IUPAC NameN-(3-piperidin-4-yloxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCCOC2CCNCC2)n1
InChIInChI=1S/C11H17F3N4OS/c12-11(13,14)9-17-10(20-18-9)16-4-1-7-19-8-2-5-15-6-3-8/h8,15H,1-7H2,(H,16,17,18)
InChIKeyJGIABKFRZQUMNG-UHFFFAOYSA-N
XLogP2.13
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.13
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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Related Compounds

N-(2-methyloxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105756901
N-[2-(oxan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105999946
N-(4-propan-2-yloxybutyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106012336
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 106308254
N-(3-ethoxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304688
N-(3-morpholin-4-ylpropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304700
N-(oxan-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304730
N-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304787
N-[2-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304794
N-(oxan-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304863
N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305031
1-[[3-(Trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pentan-3-ol
CID 107305172

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-4-yloxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-piperidin-4-yloxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305356) is N-(3-piperidin-4-yloxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-piperidin-4-yloxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-piperidin-4-yloxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCCCOC2CCNCC2)n1.
What is the InChIKey of N-(3-piperidin-4-yloxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is JGIABKFRZQUMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4OS/c12-11(13,14)9-17-10(20-18-9)16-4-1-7-19-8-2-5-15-6-3-8/h8,15H,1-7H2,(H,16,17,18).
What are the key properties of N-(3-piperidin-4-yloxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(3-piperidin-4-yloxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 310.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-4-yloxypropyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).