2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole

C22H15F3N2O2S — CID 177379297

IUPAC2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole
SMILESFC(F)(F)c1cc(OCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)ccn1
InChIInChI=1S/C22H15F3N2O2S/c23-22(24,25)20-12-18(10-11-26-20)28-14-19-13-27-21(30-19)15-6-8-17(9-7-15)29-16-4-2-1-3-5-16/h1-13H,14H2
InChIKeyVXFMVQJANXYZIS-UHFFFAOYSA-N
MW428.44 g/mol
LogP6.60
Rot. Bonds6

About 2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole

2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole (PubChem CID 177379297) has the molecular formula C22H15F3N2O2S and a molecular weight of 428.44 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole
PubChem CID177379297
Molecular FormulaC22H15F3N2O2S
Molecular Weight428.44 g/mol
Exact Mass428.08
IUPAC Name2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole
SMILESFC(F)(F)c1cc(OCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)ccn1
InChIInChI=1S/C22H15F3N2O2S/c23-22(24,25)20-12-18(10-11-26-20)28-14-19-13-27-21(30-19)15-6-8-17(9-7-15)29-16-4-2-1-3-5-16/h1-13H,14H2
InChIKeyVXFMVQJANXYZIS-UHFFFAOYSA-N
XLogP6.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole?
The IUPAC name of 2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole (CID 177379297) is 2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole?
The canonical SMILES for 2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole is FC(F)(F)c1cc(OCc2cnc(-c3ccc(Oc4ccccc4)cc3)s2)ccn1.
What is the InChIKey of 2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole?
The InChIKey is VXFMVQJANXYZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2S/c23-22(24,25)20-12-18(10-11-26-20)28-14-19-13-27-21(30-19)15-6-8-17(9-7-15)29-16-4-2-1-3-5-16/h1-13H,14H2.
What are the key properties of 2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole?
2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole has a molecular weight of 428.44 g/mol, XLogP of 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-thiazole is sourced from PubChem (CID 177379297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).