N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine

C15H9F4N3S — CID 141310245

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine
SMILESFc1ccc(Nc2cc(-c3nccs3)ccn2)cc1C(F)(F)F
InChIInChI=1S/C15H9F4N3S/c16-12-2-1-10(8-11(12)15(17,18)19)22-13-7-9(3-4-20-13)14-21-5-6-23-14/h1-8H,(H,20,22)
InChIKeyLWBHYZBRERKAKK-UHFFFAOYSA-N
MW339.32 g/mol
LogP5.11
Rot. Bonds3

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine

N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine (PubChem CID 141310245) has the molecular formula C15H9F4N3S and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine
PubChem CID141310245
Molecular FormulaC15H9F4N3S
Molecular Weight339.32 g/mol
Exact Mass339.05
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine
SMILESFc1ccc(Nc2cc(-c3nccs3)ccn2)cc1C(F)(F)F
InChIInChI=1S/C15H9F4N3S/c16-12-2-1-10(8-11(12)15(17,18)19)22-13-7-9(3-4-20-13)14-21-5-6-23-14/h1-8H,(H,20,22)
InChIKeyLWBHYZBRERKAKK-UHFFFAOYSA-N
XLogP5.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.32
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine (CID 141310245) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine is Fc1ccc(Nc2cc(-c3nccs3)ccn2)cc1C(F)(F)F.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine?
The InChIKey is LWBHYZBRERKAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3S/c16-12-2-1-10(8-11(12)15(17,18)19)22-13-7-9(3-4-20-13)14-21-5-6-23-14/h1-8H,(H,20,22).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine has a molecular weight of 339.32 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(1,3-thiazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 141310245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).