5-[1-(propylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine

C10H17F3N4OS — CID 106434289

IUPAC5-[1-(propylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCCSC(F)(F)F)o1
InChIInChI=1S/C10H17F3N4OS/c1-3-4-14-7(2)8-16-17-9(18-8)15-5-6-19-10(11,12)13/h7,14H,3-6H2,1-2H3,(H,15,17)
InChIKeyMNBHRNXPNQGHNK-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.80
Rot. Bonds8

About 5-[1-(propylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine

5-[1-(propylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106434289) has the molecular formula C10H17F3N4OS and a molecular weight of 298.33 g/mol. Its IUPAC name is 5-[1-(propylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(propylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106434289
Molecular FormulaC10H17F3N4OS
Molecular Weight298.33 g/mol
Exact Mass298.11
IUPAC Name5-[1-(propylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCCSC(F)(F)F)o1
InChIInChI=1S/C10H17F3N4OS/c1-3-4-14-7(2)8-16-17-9(18-8)15-5-6-19-10(11,12)13/h7,14H,3-6H2,1-2H3,(H,15,17)
InChIKeyMNBHRNXPNQGHNK-UHFFFAOYSA-N
XLogP2.80
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.80
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-(2,2-difluoroethoxy)ethyl]-5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 105923846
N-[2-(2,2-difluoroethoxy)ethyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 105923850
N-[2-(2,2-difluoroethoxy)ethyl]-5-[1-(methylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 105923861
5-[(2-methoxyethylamino)methyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942432
5-[(tert-butylamino)methyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942433
5-[1-(ethylamino)ethyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942435
5-[1-(methylamino)ethyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942436
5-(propylaminomethyl)-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942437
5-[(2-methylpropylamino)methyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942438
5-[1-(propylamino)ethyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942442
5-(1-aminoethyl)-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942445
5-[(propan-2-ylamino)methyl]-N-(4,4,4-trifluorobutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 105942450

Frequently Asked Questions

What is the IUPAC name of 5-[1-(propylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(propylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine (CID 106434289) is 5-[1-(propylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(propylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(propylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(NCCSC(F)(F)F)o1.
What is the InChIKey of 5-[1-(propylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is MNBHRNXPNQGHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4OS/c1-3-4-14-7(2)8-16-17-9(18-8)15-5-6-19-10(11,12)13/h7,14H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 5-[1-(propylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine?
5-[1-(propylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 298.33 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(propylamino)ethyl]-N-[2-(trifluoromethylsulfanyl)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106434289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).