N-pyridin-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-thiadiazol-5-amine

C12H9F3N6S — CID 25204251

IUPACN-pyridin-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)Cn1cc(-c2nsc(Nc3ccccn3)n2)cn1
InChIInChI=1S/C12H9F3N6S/c13-12(14,15)7-21-6-8(5-17-21)10-19-11(22-20-10)18-9-3-1-2-4-16-9/h1-6H,7H2,(H,16,18,19,20)
InChIKeyZNFPLNCHEOZDIL-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.10
Rot. Bonds4

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

N-pyridin-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-thiadiazol-5-amine (PubChem CID 25204251) has the molecular formula C12H9F3N6S and a molecular weight of 326.31 g/mol. Its IUPAC name is N-pyridin-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-pyridin-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-thiadiazol-5-amine
PubChem CID25204251
Molecular FormulaC12H9F3N6S
Molecular Weight326.31 g/mol
Exact Mass326.06
IUPAC NameN-pyridin-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-thiadiazol-5-amine
SMILESFC(F)(F)Cn1cc(-c2nsc(Nc3ccccn3)n2)cn1
InChIInChI=1S/C12H9F3N6S/c13-12(14,15)7-21-6-8(5-17-21)10-19-11(22-20-10)18-9-3-1-2-4-16-9/h1-6H,7H2,(H,16,18,19,20)
InChIKeyZNFPLNCHEOZDIL-UHFFFAOYSA-N
XLogP3.10
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-pyridin-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-thiadiazol-5-amine (CID 25204251) is N-pyridin-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-pyridin-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-pyridin-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-thiadiazol-5-amine is FC(F)(F)Cn1cc(-c2nsc(Nc3ccccn3)n2)cn1.
What is the InChIKey of N-pyridin-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-thiadiazol-5-amine?
The InChIKey is ZNFPLNCHEOZDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N6S/c13-12(14,15)7-21-6-8(5-17-21)10-19-11(22-20-10)18-9-3-1-2-4-16-9/h1-6H,7H2,(H,16,18,19,20).
What are the key properties of N-pyridin-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-thiadiazol-5-amine?
N-pyridin-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-thiadiazol-5-amine has a molecular weight of 326.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 25204251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).