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

C9H14F3N5S — CID 107305294

IUPACN-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCN2CCNCC2)n1
InChIInChI=1S/C9H14F3N5S/c10-9(11,12)7-15-8(18-16-7)14-3-6-17-4-1-13-2-5-17/h13H,1-6H2,(H,14,15,16)
InChIKeyNEKASAPYDGGYTH-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.87
Rot. Bonds4

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

N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107305294) has the molecular formula C9H14F3N5S and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107305294
Molecular FormulaC9H14F3N5S
Molecular Weight281.31 g/mol
Exact Mass281.09
IUPAC NameN-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCN2CCNCC2)n1
InChIInChI=1S/C9H14F3N5S/c10-9(11,12)7-15-8(18-16-7)14-3-6-17-4-1-13-2-5-17/h13H,1-6H2,(H,14,15,16)
InChIKeyNEKASAPYDGGYTH-UHFFFAOYSA-N
XLogP0.87
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107305294) is N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCCN2CCNCC2)n1.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is NEKASAPYDGGYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5S/c10-9(11,12)7-15-8(18-16-7)14-3-6-17-4-1-13-2-5-17/h13H,1-6H2,(H,14,15,16).
What are the key properties of N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 281.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107305294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).