4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-amine

C11H8F4N2OS — CID 57461647

IUPAC4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(OCC(F)(F)F)c(F)c2)cs1
InChIInChI=1S/C11H8F4N2OS/c12-7-3-6(8-4-19-10(16)17-8)1-2-9(7)18-5-11(13,14)15/h1-4H,5H2,(H2,16,17)
InChIKeyUHQXQDXGGXZILI-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.47
Rot. Bonds3

About 4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-amine

4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 57461647) has the molecular formula C11H8F4N2OS and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID57461647
Molecular FormulaC11H8F4N2OS
Molecular Weight292.26 g/mol
Exact Mass292.03
IUPAC Name4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(OCC(F)(F)F)c(F)c2)cs1
InChIInChI=1S/C11H8F4N2OS/c12-7-3-6(8-4-19-10(16)17-8)1-2-9(7)18-5-11(13,14)15/h1-4H,5H2,(H2,16,17)
InChIKeyUHQXQDXGGXZILI-UHFFFAOYSA-N
XLogP3.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-amine (CID 57461647) is 4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-amine is Nc1nc(-c2ccc(OCC(F)(F)F)c(F)c2)cs1.
What is the InChIKey of 4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is UHQXQDXGGXZILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N2OS/c12-7-3-6(8-4-19-10(16)17-8)1-2-9(7)18-5-11(13,14)15/h1-4H,5H2,(H2,16,17).
What are the key properties of 4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-amine?
4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 292.26 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 57461647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).