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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(4-phenoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 177379300
6-phenoxy-2-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-1,3-benzoxazole
CID 146291255
5-[(4-phenoxyphenoxy)methyl]-1,3-thiazol-2-amine
CID 79762020
4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]benzaldehyde
CID 156704518
3-[2-chloro-4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 136629682
4-methyl-2-(thiophen-2-ylmethoxy)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxy]pyridine
CID 54011733
2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride
CID 154878754
1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone
CID 175454937
2,5-bis(phenoxymethyl)-1,3-thiazole
CID 90704535
5-[2-[2-chloro-6-(trifluoromethyl)-4-pyridinyl]ethyl]-2-(4-propan-2-yloxyphenyl)-1,3-thiazole
CID 163549271
copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 159377510
1-methyl-4-phenoxybenzene;4-[(3-methylphenoxy)methyl]pyridine;1-methyl-4-phenylbenzene
CID 158309551

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).