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

C10H15F3N4S — CID 107305364

IUPAC2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)8-15-9(18-16-8)17-5-1-2-7(6-17)3-4-14/h7H,1-6,14H2
InChIKeyCXQQDGPDMJGKLJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.12
Rot. Bonds3

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

2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanamine (PubChem CID 107305364) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanamine
PubChem CID107305364
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC Name2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(c2nc(C(F)(F)F)ns2)C1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)8-15-9(18-16-8)17-5-1-2-7(6-17)3-4-14/h7H,1-6,14H2
InChIKeyCXQQDGPDMJGKLJ-UHFFFAOYSA-N
XLogP2.12
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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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Related Compounds

3-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 119099100
N-[[(3S)-1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methyl]methanesulfonamide
CID 124880274
3-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164642026
3-Methyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazole
CID 58792112
3-[(1S,3R)-2,2-difluoro-3-propan-2-ylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130466721
3-[(1S,3R)-3-ethyl-2,2-difluorocyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 130472470
3-[(1S)-2,2-difluoro-3-propan-2-ylcyclopropyl]-5-piperidin-1-yl-1,2,4-thiadiazole
CID 132216086
3-(Piperidin-4-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 169691597
5-(Piperidin-4-ylmethyl)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 169691755
5-[3-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66278807
5-[4-(Trifluoromethyl)piperidin-1-yl]-1,2,4-thiadiazol-3-amine
CID 66278808
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105566429

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanamine (CID 107305364) is 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanamine is NCCC1CCCN(c2nc(C(F)(F)F)ns2)C1.
What is the InChIKey of 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanamine?
The InChIKey is CXQQDGPDMJGKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c11-10(12,13)8-15-9(18-16-8)17-5-1-2-7(6-17)3-4-14/h7H,1-6,14H2.
What are the key properties of 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanamine?
2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanamine has a molecular weight of 280.32 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]ethanamine is sourced from PubChem (CID 107305364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).