4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol

C15H9BrFNOS — CID 136794251

IUPAC4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc(F)cc3Br)cs2)cc1
InChIInChI=1S/C15H9BrFNOS/c16-13-7-10(17)3-6-12(13)14-8-20-15(18-14)9-1-4-11(19)5-2-9/h1-8,19H
InChIKeySCJRJUZFANMATM-UHFFFAOYSA-N
MW350.21 g/mol
LogP5.08
Rot. Bonds2

About 4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol

4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol (PubChem CID 136794251) has the molecular formula C15H9BrFNOS and a molecular weight of 350.21 g/mol. Its IUPAC name is 4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol
PubChem CID136794251
Molecular FormulaC15H9BrFNOS
Molecular Weight350.21 g/mol
Exact Mass348.96
IUPAC Name4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc(F)cc3Br)cs2)cc1
InChIInChI=1S/C15H9BrFNOS/c16-13-7-10(17)3-6-12(13)14-8-20-15(18-14)9-1-4-11(19)5-2-9/h1-8,19H
InChIKeySCJRJUZFANMATM-UHFFFAOYSA-N
XLogP5.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.21
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-fluoro-4-[2-(4-hydroxyphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 135569925
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667850
4-[4-(5-bromofuran-2-yl)-1,3-thiazol-2-yl]phenol
CID 136907983
2-(2-bromo-5-fluorophenyl)-4-phenyl-1,3-thiazole
CID 107924775
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 60620531
4-[4-(2-methyl-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]phenol
CID 136969519
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]phenol
CID 1473815
4-(2,5-difluorophenyl)-2-thiophen-3-yl-1,3-thiazole
CID 9232581
4-(5-fluoro-2-methoxyphenyl)-2-(4-methylphenyl)-1,3-thiazole
CID 8963152
4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]butanoic acid
CID 114263364
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzoic acid
CID 1483707
2-amino-4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136843029

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol?
The IUPAC name of 4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol (CID 136794251) is 4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol is Oc1ccc(-c2nc(-c3ccc(F)cc3Br)cs2)cc1.
What is the InChIKey of 4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol?
The InChIKey is SCJRJUZFANMATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrFNOS/c16-13-7-10(17)3-6-12(13)14-8-20-15(18-14)9-1-4-11(19)5-2-9/h1-8,19H.
What are the key properties of 4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol?
4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol has a molecular weight of 350.21 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-bromo-4-fluorophenyl)-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 136794251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).