1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrazol-4-amine

C6H4F3N5S — CID 107305760

IUPAC1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrazol-4-amine
SMILESNc1cnn(-c2nc(C(F)(F)F)ns2)c1
InChIInChI=1S/C6H4F3N5S/c7-6(8,9)4-12-5(15-13-4)14-2-3(10)1-11-14/h1-2H,10H2
InChIKeySIJAXZMSSQWZPM-UHFFFAOYSA-N
MW235.19 g/mol
LogP1.32
Rot. Bonds1

About 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrazol-4-amine

1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrazol-4-amine (PubChem CID 107305760) has the molecular formula C6H4F3N5S and a molecular weight of 235.19 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrazol-4-amine
PubChem CID107305760
Molecular FormulaC6H4F3N5S
Molecular Weight235.19 g/mol
Exact Mass235.01
IUPAC Name1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrazol-4-amine
SMILESNc1cnn(-c2nc(C(F)(F)F)ns2)c1
InChIInChI=1S/C6H4F3N5S/c7-6(8,9)4-12-5(15-13-4)14-2-3(10)1-11-14/h1-2H,10H2
InChIKeySIJAXZMSSQWZPM-UHFFFAOYSA-N
XLogP1.32
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrazol-4-amine?
The IUPAC name of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrazol-4-amine (CID 107305760) is 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrazol-4-amine.
What is the SMILES notation for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrazol-4-amine?
The canonical SMILES for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrazol-4-amine is Nc1cnn(-c2nc(C(F)(F)F)ns2)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrazol-4-amine?
The InChIKey is SIJAXZMSSQWZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N5S/c7-6(8,9)4-12-5(15-13-4)14-2-3(10)1-11-14/h1-2H,10H2.
What are the key properties of 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrazol-4-amine?
1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrazol-4-amine has a molecular weight of 235.19 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrazol-4-amine is sourced from PubChem (CID 107305760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).