5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine

C7H10F3N3S — CID 105174271

IUPAC5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine
SMILESNC(CCCC(F)(F)F)c1csnn1
InChIInChI=1S/C7H10F3N3S/c8-7(9,10)3-1-2-5(11)6-4-14-13-12-6/h4-5H,1-3,11H2
InChIKeyWVJXCWTVQWXUSS-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.27
Rot. Bonds4

About 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine

5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine (PubChem CID 105174271) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine
PubChem CID105174271
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine
SMILESNC(CCCC(F)(F)F)c1csnn1
InChIInChI=1S/C7H10F3N3S/c8-7(9,10)3-1-2-5(11)6-4-14-13-12-6/h4-5H,1-3,11H2
InChIKeyWVJXCWTVQWXUSS-UHFFFAOYSA-N
XLogP2.27
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.27
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-1-(thiadiazol-4-yl)pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine (CID 105174271) is 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine is NC(CCCC(F)(F)F)c1csnn1.
What is the InChIKey of 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine?
The InChIKey is WVJXCWTVQWXUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c8-7(9,10)3-1-2-5(11)6-4-14-13-12-6/h4-5H,1-3,11H2.
What are the key properties of 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine?
5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine has a molecular weight of 225.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(thiadiazol-4-yl)pentan-1-amine is sourced from PubChem (CID 105174271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).