4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol

C26H22F3NOS — CID 136609086

IUPAC4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2ccccc2)c(O)c(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1
InChIInChI=1S/C26H22F3NOS/c1-25(2,3)19-13-20(16-8-5-4-6-9-16)23(31)21(14-19)24-30-22(15-32-24)17-10-7-11-18(12-17)26(27,28)29/h4-15,31H,1-3H3
InChIKeyHFMUIWXJUHTGSV-UHFFFAOYSA-N
MW453.53 g/mol
LogP8.17
Rot. Bonds3

About 4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol

4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol (PubChem CID 136609086) has the molecular formula C26H22F3NOS and a molecular weight of 453.53 g/mol. Its IUPAC name is 4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol
PubChem CID136609086
Molecular FormulaC26H22F3NOS
Molecular Weight453.53 g/mol
Exact Mass453.14
IUPAC Name4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol
SMILESCC(C)(C)c1cc(-c2ccccc2)c(O)c(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1
InChIInChI=1S/C26H22F3NOS/c1-25(2,3)19-13-20(16-8-5-4-6-9-16)23(31)21(14-19)24-30-22(15-32-24)17-10-7-11-18(12-17)26(27,28)29/h4-15,31H,1-3H3
InChIKeyHFMUIWXJUHTGSV-UHFFFAOYSA-N
XLogP8.17
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.53
LogP ≤ 58.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
CID 61337275
2-[2-[3,5-bis(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-5-(trifluoromethyl)phenol
CID 146171671
4-[hydroxy-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]benzoic acid
CID 66939544
N-methyl-2-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propan-1-amine
CID 104513426
5-methyl-4-phenyl-2-[3-(trifluoromethyl)phenyl]pyridine
CID 168821693
(3,4-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
CID 46943701
carbanide;2-[2-[2-[4-[2-(2-hydroxy-5-methyl-3-phenylphenyl)phenyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]phenyl]-4-methyl-6-phenylphenol;zirconium(2+)
CID 169283759
[2-(2-nitrophenyl)-5-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenyl] hydrogen carbonate
CID 118451016
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286137
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
5-tert-butyl-3-(3-tert-butylphenyl)benzene-1,2-diol
CID 70227483
N-(1-hydroxy-2-methylpropan-2-yl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 110000611

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol?
The IUPAC name of 4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol (CID 136609086) is 4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol is CC(C)(C)c1cc(-c2ccccc2)c(O)c(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1.
What is the InChIKey of 4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol?
The InChIKey is HFMUIWXJUHTGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3NOS/c1-25(2,3)19-13-20(16-8-5-4-6-9-16)23(31)21(14-19)24-30-22(15-32-24)17-10-7-11-18(12-17)26(27,28)29/h4-15,31H,1-3H3.
What are the key properties of 4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol?
4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol has a molecular weight of 453.53 g/mol, XLogP of 8.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 136609086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).