4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine

C7H5F3N4OS — CID 62788817

IUPAC4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2nc(CC(F)(F)F)no2)cs1
InChIInChI=1S/C7H5F3N4OS/c8-7(9,10)1-4-13-5(15-14-4)3-2-16-6(11)12-3/h2H,1H2,(H2,11,12)
InChIKeyIELYRXOBONRFHD-UHFFFAOYSA-N
MW250.20 g/mol
LogP1.88
Rot. Bonds2

About 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine

4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 62788817) has the molecular formula C7H5F3N4OS and a molecular weight of 250.20 g/mol. Its IUPAC name is 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID62788817
Molecular FormulaC7H5F3N4OS
Molecular Weight250.20 g/mol
Exact Mass250.01
IUPAC Name4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2nc(CC(F)(F)F)no2)cs1
InChIInChI=1S/C7H5F3N4OS/c8-7(9,10)1-4-13-5(15-14-4)3-2-16-6(11)12-3/h2H,1H2,(H2,11,12)
InChIKeyIELYRXOBONRFHD-UHFFFAOYSA-N
XLogP1.88
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine (CID 62788817) is 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is Nc1nc(-c2nc(CC(F)(F)F)no2)cs1.
What is the InChIKey of 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is IELYRXOBONRFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4OS/c8-7(9,10)1-4-13-5(15-14-4)3-2-16-6(11)12-3/h2H,1H2,(H2,11,12).
What are the key properties of 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine?
4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 250.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62788817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).