2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]phenol

C14H10FNOS — CID 80740445

IUPAC2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]phenol
SMILESOc1ccccc1Cc1nc2ccc(F)cc2s1
InChIInChI=1S/C14H10FNOS/c15-10-5-6-11-13(8-10)18-14(16-11)7-9-3-1-2-4-12(9)17/h1-6,8,17H,7H2
InChIKeyHOHGESLSECFNBD-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.73
Rot. Bonds2

About 2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]phenol

2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]phenol (PubChem CID 80740445) has the molecular formula C14H10FNOS and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]phenol
PubChem CID80740445
Molecular FormulaC14H10FNOS
Molecular Weight259.31 g/mol
Exact Mass259.05
IUPAC Name2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]phenol
SMILESOc1ccccc1Cc1nc2ccc(F)cc2s1
InChIInChI=1S/C14H10FNOS/c15-10-5-6-11-13(8-10)18-14(16-11)7-9-3-1-2-4-12(9)17/h1-6,8,17H,7H2
InChIKeyHOHGESLSECFNBD-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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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]phenol?
The IUPAC name of 2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]phenol (CID 80740445) is 2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]phenol.
What is the SMILES notation for 2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]phenol?
The canonical SMILES for 2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]phenol is Oc1ccccc1Cc1nc2ccc(F)cc2s1.
What is the InChIKey of 2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]phenol?
The InChIKey is HOHGESLSECFNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNOS/c15-10-5-6-11-13(8-10)18-14(16-11)7-9-3-1-2-4-12(9)17/h1-6,8,17H,7H2.
What are the key properties of 2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]phenol?
2-[(6-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 2-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]phenol is sourced from PubChem (CID 80740445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).