4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol

C14H10FNOS — CID 43306339

IUPAC4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol
SMILESOc1ccc(Cc2nc3cc(F)ccc3s2)cc1
InChIInChI=1S/C14H10FNOS/c15-10-3-6-13-12(8-10)16-14(18-13)7-9-1-4-11(17)5-2-9/h1-6,8,17H,7H2
InChIKeySTAPMVBQCXVEBL-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.73
Rot. Bonds2

About 4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol

4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol (PubChem CID 43306339) has the molecular formula C14H10FNOS and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol
PubChem CID43306339
Molecular FormulaC14H10FNOS
Molecular Weight259.31 g/mol
Exact Mass259.05
IUPAC Name4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol
SMILESOc1ccc(Cc2nc3cc(F)ccc3s2)cc1
InChIInChI=1S/C14H10FNOS/c15-10-3-6-13-12(8-10)16-14(18-13)7-9-1-4-11(17)5-2-9/h1-6,8,17H,7H2
InChIKeySTAPMVBQCXVEBL-UHFFFAOYSA-N
XLogP3.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]aniline
CID 65345782
2-[(4-fluorophenyl)methyl]-N-hydroxy-1,3-benzothiazole-5-carboxamide
CID 129283416
3-(1,3-benzothiazol-2-ylmethyl)-5-fluorophenol
CID 83129856
2-[(4-chlorophenyl)methyl]-6-fluoro-1,3-benzothiazole
CID 50850071
3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
CID 43305639
2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]phenol
CID 80740445
4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylbutan-1-amine
CID 82688216
4-(5-fluoro-1,3-benzothiazol-2-yl)-3-methylphenol
CID 136750939
4-chloro-N-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]aniline
CID 60836038
3-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]aniline
CID 79147705
3-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-5-hydroxy-4,7-dimethyl-1H-quinolin-2-one
CID 68605374
2-[2-(4-fluorophenyl)ethyl]-1,3-benzothiazole
CID 56978575

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol?
The IUPAC name of 4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol (CID 43306339) is 4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol.
What is the SMILES notation for 4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol?
The canonical SMILES for 4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol is Oc1ccc(Cc2nc3cc(F)ccc3s2)cc1.
What is the InChIKey of 4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol?
The InChIKey is STAPMVBQCXVEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNOS/c15-10-3-6-13-12(8-10)16-14(18-13)7-9-1-4-11(17)5-2-9/h1-6,8,17H,7H2.
What are the key properties of 4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol?
4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol has a molecular weight of 259.31 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]phenol is sourced from PubChem (CID 43306339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).