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

C15H10F3N3S — CID 972969

IUPAC4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C15H10F3N3S/c16-15(17,18)11-2-1-3-12(8-11)20-14-21-13(9-22-14)10-4-6-19-7-5-10/h1-9H,(H,20,21)
InChIKeyLTQINICKNQHDSP-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.97
Rot. Bonds3

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

4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 972969) has the molecular formula C15H10F3N3S and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID972969
Molecular FormulaC15H10F3N3S
Molecular Weight321.33 g/mol
Exact Mass321.05
IUPAC Name4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1cccc(Nc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C15H10F3N3S/c16-15(17,18)11-2-1-3-12(8-11)20-14-21-13(9-22-14)10-4-6-19-7-5-10/h1-9H,(H,20,21)
InChIKeyLTQINICKNQHDSP-UHFFFAOYSA-N
XLogP4.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 972969) is 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is FC(F)(F)c1cccc(Nc2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is LTQINICKNQHDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3S/c16-15(17,18)11-2-1-3-12(8-11)20-14-21-13(9-22-14)10-4-6-19-7-5-10/h1-9H,(H,20,21).
What are the key properties of 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 321.33 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 972969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).