2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol

C15H12FNO2S — CID 82190371

IUPAC2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol
SMILESOCCOc1cccc2sc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C15H12FNO2S/c16-11-6-4-10(5-7-11)15-17-14-12(19-9-8-18)2-1-3-13(14)20-15/h1-7,18H,8-9H2
InChIKeySBJOIVQLEPPMHR-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.47
Rot. Bonds4

About 2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol

2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol (PubChem CID 82190371) has the molecular formula C15H12FNO2S and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol
PubChem CID82190371
Molecular FormulaC15H12FNO2S
Molecular Weight289.33 g/mol
Exact Mass289.06
IUPAC Name2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol
SMILESOCCOc1cccc2sc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C15H12FNO2S/c16-11-6-4-10(5-7-11)15-17-14-12(19-9-8-18)2-1-3-13(14)20-15/h1-7,18H,8-9H2
InChIKeySBJOIVQLEPPMHR-UHFFFAOYSA-N
XLogP3.47
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]propan-2-ol
CID 82190372
4-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]butan-1-amine
CID 82190331
1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol
CID 82190338
2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190401
[2-(4-bromophenyl)-1,3-benzothiazol-4-yl] acetate
CID 10497893
2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine
CID 82190405
2-(4-aminophenyl)-1,3-benzothiazol-4-ol
CID 10752678
2-(1H-benzimidazol-4-yloxy)ethanol
CID 70333523
2-[8-(2-hydroxyethoxy)naphthalen-1-yl]oxyethanol
CID 21424545
2-[(2-thiophen-2-yl-1,3-benzothiazol-4-yl)oxy]acetic acid
CID 82190423
2-pyridin-4-yl-4-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1,3-benzothiazole
CID 10433886
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole
CID 148856781

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol?
The IUPAC name of 2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol (CID 82190371) is 2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol is OCCOc1cccc2sc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol?
The InChIKey is SBJOIVQLEPPMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2S/c16-11-6-4-10(5-7-11)15-17-14-12(19-9-8-18)2-1-3-13(14)20-15/h1-7,18H,8-9H2.
What are the key properties of 2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol?
2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol has a molecular weight of 289.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol is sourced from PubChem (CID 82190371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).