5,5,5-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine

C9H14F3N3S — CID 105174342

IUPAC5,5,5-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1snnc1C
InChIInChI=1S/C9H14F3N3S/c1-6-8(16-15-14-6)7(13-2)4-3-5-9(10,11)12/h7,13H,3-5H2,1-2H3
InChIKeyDAFHNBQMFJYSOC-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.84
Rot. Bonds5

About 5,5,5-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine

5,5,5-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine (PubChem CID 105174342) has the molecular formula C9H14F3N3S and a molecular weight of 253.29 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine
PubChem CID105174342
Molecular FormulaC9H14F3N3S
Molecular Weight253.29 g/mol
Exact Mass253.09
IUPAC Name5,5,5-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1snnc1C
InChIInChI=1S/C9H14F3N3S/c1-6-8(16-15-14-6)7(13-2)4-3-5-9(10,11)12/h7,13H,3-5H2,1-2H3
InChIKeyDAFHNBQMFJYSOC-UHFFFAOYSA-N
XLogP2.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine (CID 105174342) is 5,5,5-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine is CNC(CCCC(F)(F)F)c1snnc1C.
What is the InChIKey of 5,5,5-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine?
The InChIKey is DAFHNBQMFJYSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3S/c1-6-8(16-15-14-6)7(13-2)4-3-5-9(10,11)12/h7,13H,3-5H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine?
5,5,5-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine has a molecular weight of 253.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-methyl-1-(4-methylthiadiazol-5-yl)pentan-1-amine is sourced from PubChem (CID 105174342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).