3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol

C16H12FNOS — CID 83130460

IUPAC3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol
SMILESOc1ccc(Cc2nc(-c3ccccc3)cs2)c(F)c1
InChIInChI=1S/C16H12FNOS/c17-14-9-13(19)7-6-12(14)8-16-18-15(10-20-16)11-4-2-1-3-5-11/h1-7,9-10,19H,8H2
InChIKeyWAYQMJKTKHOZKZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP4.25
Rot. Bonds3

About 3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol

3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol (PubChem CID 83130460) has the molecular formula C16H12FNOS and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol
PubChem CID83130460
Molecular FormulaC16H12FNOS
Molecular Weight285.34 g/mol
Exact Mass285.06
IUPAC Name3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol
SMILESOc1ccc(Cc2nc(-c3ccccc3)cs2)c(F)c1
InChIInChI=1S/C16H12FNOS/c17-14-9-13(19)7-6-12(14)8-16-18-15(10-20-16)11-4-2-1-3-5-11/h1-7,9-10,19H,8H2
InChIKeyWAYQMJKTKHOZKZ-UHFFFAOYSA-N
XLogP4.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-benzyl-1,3-thiazol-4-yl)phenol
CID 22054946
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323
2-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]aniline
CID 79817296
5-chloro-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79826170
2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-phenyl-1,3-thiazole
CID 16566864
4-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]phenol
CID 53391458
2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817395
2-chloro-5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 39164058
O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
CID 39241198
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole
CID 158458323
N-methyl-1-[3-[(4-phenyl-1,3-thiazol-2-yl)methyl]furan-2-yl]methanamine
CID 106887618

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol?
The IUPAC name of 3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol (CID 83130460) is 3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol.
What is the SMILES notation for 3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol?
The canonical SMILES for 3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol is Oc1ccc(Cc2nc(-c3ccccc3)cs2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol?
The InChIKey is WAYQMJKTKHOZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNOS/c17-14-9-13(19)7-6-12(14)8-16-18-15(10-20-16)11-4-2-1-3-5-11/h1-7,9-10,19H,8H2.
What are the key properties of 3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol?
3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol has a molecular weight of 285.34 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol is sourced from PubChem (CID 83130460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).