1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine

C10H15F3N4S — CID 107305348

IUPAC1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H15F3N4S/c1-6(14)7-2-4-17(5-3-7)9-15-8(16-18-9)10(11,12)13/h6-7H,2-5,14H2,1H3
InChIKeyLAVZKVOXHWNWQU-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.12
Rot. Bonds2

About 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine

1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine (PubChem CID 107305348) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine
PubChem CID107305348
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC Name1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(c2nc(C(F)(F)F)ns2)CC1
InChIInChI=1S/C10H15F3N4S/c1-6(14)7-2-4-17(5-3-7)9-15-8(16-18-9)10(11,12)13/h6-7H,2-5,14H2,1H3
InChIKeyLAVZKVOXHWNWQU-UHFFFAOYSA-N
XLogP2.12
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine (CID 107305348) is 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine is CC(N)C1CCN(c2nc(C(F)(F)F)ns2)CC1.
What is the InChIKey of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine?
The InChIKey is LAVZKVOXHWNWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c1-6(14)7-2-4-17(5-3-7)9-15-8(16-18-9)10(11,12)13/h6-7H,2-5,14H2,1H3.
What are the key properties of 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine?
1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine has a molecular weight of 280.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 107305348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).