N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

C8H8F3N5S — CID 107304719

IUPACN-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCn1cc(Nc2nc(C(F)(F)F)ns2)cn1
InChIInChI=1S/C8H8F3N5S/c1-2-16-4-5(3-12-16)13-7-14-6(15-17-7)8(9,10)11/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyFGLKHVJJYAVALF-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.52
Rot. Bonds3

About N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine

N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 107304719) has the molecular formula C8H8F3N5S and a molecular weight of 263.25 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
PubChem CID107304719
Molecular FormulaC8H8F3N5S
Molecular Weight263.25 g/mol
Exact Mass263.05
IUPAC NameN-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
SMILESCCn1cc(Nc2nc(C(F)(F)F)ns2)cn1
InChIInChI=1S/C8H8F3N5S/c1-2-16-4-5(3-12-16)13-7-14-6(15-17-7)8(9,10)11/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyFGLKHVJJYAVALF-UHFFFAOYSA-N
XLogP2.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine (CID 107304719) is N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is CCn1cc(Nc2nc(C(F)(F)F)ns2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is FGLKHVJJYAVALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5S/c1-2-16-4-5(3-12-16)13-7-14-6(15-17-7)8(9,10)11/h3-4H,2H2,1H3,(H,13,14,15).
What are the key properties of N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine?
N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 263.25 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 107304719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).