4-tert-butyl-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylphenol

C26H24FNO2S — CID 136609131

IUPAC4-tert-butyl-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylphenol
SMILESCOc1ccc(F)cc1-c1csc(-c2cc(C(C)(C)C)cc(-c3ccccc3)c2O)n1
InChIInChI=1S/C26H24FNO2S/c1-26(2,3)17-12-19(16-8-6-5-7-9-16)24(29)21(13-17)25-28-22(15-31-25)20-14-18(27)10-11-23(20)30-4/h5-15,29H,1-4H3
InChIKeyZEJKKOAUYJQMDW-UHFFFAOYSA-N
MW433.55 g/mol
LogP7.29
Rot. Bonds4

About 4-tert-butyl-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylphenol

4-tert-butyl-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylphenol (PubChem CID 136609131) has the molecular formula C26H24FNO2S and a molecular weight of 433.55 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylphenol
PubChem CID136609131
Molecular FormulaC26H24FNO2S
Molecular Weight433.55 g/mol
Exact Mass433.15
IUPAC Name4-tert-butyl-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylphenol
SMILESCOc1ccc(F)cc1-c1csc(-c2cc(C(C)(C)C)cc(-c3ccccc3)c2O)n1
InChIInChI=1S/C26H24FNO2S/c1-26(2,3)17-12-19(16-8-6-5-7-9-16)24(29)21(13-17)25-28-22(15-31-25)20-14-18(27)10-11-23(20)30-4/h5-15,29H,1-4H3
InChIKeyZEJKKOAUYJQMDW-UHFFFAOYSA-N
XLogP7.29
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-(4-Methoxyphenyl)thiazol-2-yl)phenol
CID 829532
2,4-Bis(3-Methoxyphenyl)Thiazole
CID 24431784
2-(4-Phenyl-thiazol-2-yl)-benzo[f]chromen-3-ylideneamine
CID 1888321
2-(4-[1,1'-Biphenyl]-4-yl-1,3-thiazol-2-yl)-3-(2,5-dimethoxyphenyl)acrylonitrile
CID 5760665
(4-Methoxyphenyl)-[4-(2-naphthyl)thiazol-2-yl]methanol
CID 46942760
(3-Methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
CID 49786283
(4-Fluoro-3-methoxyphenyl)-[4-(3-propan-2-ylphenyl)-1,3-thiazol-2-yl]methanol
CID 49786457
[4-(4-Fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methoxyphenyl)methanol
CID 49790936
1-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-1-phenylethanol
CID 49792786
(4-Fluorophenyl)-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 49795508
2-(p-Fluorophenyl)-4,5-bis(p-methoxyphenyl)thiazole
CID 3062249
(3,4-Difluorophenyl)-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 46942776

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylphenol?
The IUPAC name of 4-tert-butyl-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylphenol (CID 136609131) is 4-tert-butyl-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylphenol.
What is the SMILES notation for 4-tert-butyl-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylphenol?
The canonical SMILES for 4-tert-butyl-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylphenol is COc1ccc(F)cc1-c1csc(-c2cc(C(C)(C)C)cc(-c3ccccc3)c2O)n1.
What is the InChIKey of 4-tert-butyl-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylphenol?
The InChIKey is ZEJKKOAUYJQMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO2S/c1-26(2,3)17-12-19(16-8-6-5-7-9-16)24(29)21(13-17)25-28-22(15-31-25)20-14-18(27)10-11-23(20)30-4/h5-15,29H,1-4H3.
What are the key properties of 4-tert-butyl-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylphenol?
4-tert-butyl-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylphenol has a molecular weight of 433.55 g/mol, XLogP of 7.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-6-phenylphenol is sourced from PubChem (CID 136609131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).