N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C10H15F3N4S — CID 107304861

IUPACN-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCN2CCCCC2)n1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)8-15-9(18-16-8)14-4-7-17-5-2-1-3-6-17/h1-7H2,(H,14,15,16)
InChIKeyVKTLCWHLCPLYIH-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.45
Rot. Bonds4

About N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304861) has the molecular formula C10H15F3N4S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304861
Molecular FormulaC10H15F3N4S
Molecular Weight280.32 g/mol
Exact Mass280.10
IUPAC NameN-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCN2CCCCC2)n1
InChIInChI=1S/C10H15F3N4S/c11-10(12,13)8-15-9(18-16-8)14-4-7-17-5-2-1-3-6-17/h1-7H2,(H,14,15,16)
InChIKeyVKTLCWHLCPLYIH-UHFFFAOYSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
1-(3-Ethyl-1,2,4-thiadiazol-5-yl)piperazine
CID 53403990
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97594400
3-ethyl-N-[[(3R)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 164642026
5-Piperazin-1-yl-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 53418310
2-N-(4,4-difluorocyclohexyl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3,5-triazine-2,4-diamine
CID 175495132
3-(Piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 83959825
3-(Piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,2,4-thiadiazole
CID 83959829
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 105566429
N'-cyclopropyl-N'-ethyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105967748
2-N-cyclopropyl-2-N-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 105968559
N'-ethyl-N'-propyl-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]ethane-1,2-diamine
CID 105969391

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304861) is N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCCN2CCCCC2)n1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VKTLCWHLCPLYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4S/c11-10(12,13)8-15-9(18-16-8)14-4-7-17-5-2-1-3-6-17/h1-7H2,(H,14,15,16).
What are the key properties of N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 280.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).