[5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol

C14H10FNOS — CID 56715205

IUPAC[5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol
SMILESOCc1cc(-c2nc3ccccc3s2)ccc1F
InChIInChI=1S/C14H10FNOS/c15-11-6-5-9(7-10(11)8-17)14-16-12-3-1-2-4-13(12)18-14/h1-7,17H,8H2
InChIKeyBLJWOHWKXSOWNW-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.59
Rot. Bonds2

About [5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol

[5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol (PubChem CID 56715205) has the molecular formula C14H10FNOS and a molecular weight of 259.31 g/mol. Its IUPAC name is [5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol
PubChem CID56715205
Molecular FormulaC14H10FNOS
Molecular Weight259.31 g/mol
Exact Mass259.05
IUPAC Name[5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol
SMILESOCc1cc(-c2nc3ccccc3s2)ccc1F
InChIInChI=1S/C14H10FNOS/c15-11-6-5-9(7-10(11)8-17)14-16-12-3-1-2-4-13(12)18-14/h1-7,17H,8H2
InChIKeyBLJWOHWKXSOWNW-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-benzothiazol-2-yl)benzene-1,2-diol
CID 3027254
2-[4-(1,3-benzothiazol-2-yl)phenyl]-1-(2,3,4,5,6-pentafluorophenyl)ethanone
CID 157105771
2-[4-(4-fluorophenyl)naphthalen-1-yl]-1,3-benzothiazole
CID 171056267
3-(1,3-benzothiazol-2-yl)-N-[(2-fluorophenyl)methyl]aniline
CID 110826435
2-[3-(1,3-benzothiazol-2-yl)-5-bromophenyl]-1,3-benzothiazole
CID 139449990
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-benzothiazole
CID 91678634
2-[4-[3-(3-fluorophenyl)phenyl]phenyl]-1,3-benzothiazole
CID 171056559
2-[3-[3-(4-triphenylen-2-ylphenyl)phenyl]phenyl]-1,3-benzothiazole
CID 169291468
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932
2-[4-[7-[4-(1,3-benzothiazol-2-yl)phenyl]naphthalen-2-yl]phenyl]-1,3-benzothiazole
CID 130389356
2-(3,4,5-trichlorophenyl)-1,3-benzothiazole
CID 50849600
iridium;bis(2-phenyl-1,3-benzothiazole)
CID 87517023

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol?
The IUPAC name of [5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol (CID 56715205) is [5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol.
What is the SMILES notation for [5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol?
The canonical SMILES for [5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol is OCc1cc(-c2nc3ccccc3s2)ccc1F.
What is the InChIKey of [5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol?
The InChIKey is BLJWOHWKXSOWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNOS/c15-11-6-5-9(7-10(11)8-17)14-16-12-3-1-2-4-13(12)18-14/h1-7,17H,8H2.
What are the key properties of [5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol?
[5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol has a molecular weight of 259.31 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol is sourced from PubChem (CID 56715205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).