1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-amine

C9H14F3N3S — CID 105174232

IUPAC1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-amine
SMILESCCc1nnsc1C(N)CCCC(F)(F)F
InChIInChI=1S/C9H14F3N3S/c1-2-7-8(16-15-14-7)6(13)4-3-5-9(10,11)12/h6H,2-5,13H2,1H3
InChIKeyIMJDYYDXWGPWNA-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.83
Rot. Bonds5

About 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-amine

1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-amine (PubChem CID 105174232) has the molecular formula C9H14F3N3S and a molecular weight of 253.29 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-amine
PubChem CID105174232
Molecular FormulaC9H14F3N3S
Molecular Weight253.29 g/mol
Exact Mass253.09
IUPAC Name1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-amine
SMILESCCc1nnsc1C(N)CCCC(F)(F)F
InChIInChI=1S/C9H14F3N3S/c1-2-7-8(16-15-14-7)6(13)4-3-5-9(10,11)12/h6H,2-5,13H2,1H3
InChIKeyIMJDYYDXWGPWNA-UHFFFAOYSA-N
XLogP2.83
TPSA51.80 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-amine (CID 105174232) is 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-amine is CCc1nnsc1C(N)CCCC(F)(F)F.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is IMJDYYDXWGPWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3S/c1-2-7-8(16-15-14-7)6(13)4-3-5-9(10,11)12/h6H,2-5,13H2,1H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-amine?
1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 253.29 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 105174232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).