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

C8H8F3N5S — CID 107304822

IUPACN-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCn2cccn2)n1
InChIInChI=1S/C8H8F3N5S/c9-8(10,11)6-14-7(17-15-6)12-3-5-16-4-1-2-13-16/h1-2,4H,3,5H2,(H,12,14,15)
InChIKeyQUEMGBKHUBNOLG-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.87
Rot. Bonds4

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

N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304822) has the molecular formula C8H8F3N5S and a molecular weight of 263.25 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304822
Molecular FormulaC8H8F3N5S
Molecular Weight263.25 g/mol
Exact Mass263.05
IUPAC NameN-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)c1nsc(NCCn2cccn2)n1
InChIInChI=1S/C8H8F3N5S/c9-8(10,11)6-14-7(17-15-6)12-3-5-16-4-1-2-13-16/h1-2,4H,3,5H2,(H,12,14,15)
InChIKeyQUEMGBKHUBNOLG-UHFFFAOYSA-N
XLogP1.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304822) is N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is FC(F)(F)c1nsc(NCCn2cccn2)n1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QUEMGBKHUBNOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5S/c9-8(10,11)6-14-7(17-15-6)12-3-5-16-4-1-2-13-16/h1-2,4H,3,5H2,(H,12,14,15).
What are the key properties of N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 263.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).