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

C16H14FNO2S — CID 82190372

IUPAC1-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]propan-2-ol
SMILESCC(O)COc1cccc2sc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C16H14FNO2S/c1-10(19)9-20-13-3-2-4-14-15(13)18-16(21-14)11-5-7-12(17)8-6-11/h2-8,10,19H,9H2,1H3
InChIKeyDSLHYKPHCXRHHO-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.86
Rot. Bonds4

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

1-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]propan-2-ol (PubChem CID 82190372) has the molecular formula C16H14FNO2S and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]propan-2-ol.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]propan-2-ol
PubChem CID82190372
Molecular FormulaC16H14FNO2S
Molecular Weight303.36 g/mol
Exact Mass303.07
IUPAC Name1-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]propan-2-ol
SMILESCC(O)COc1cccc2sc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C16H14FNO2S/c1-10(19)9-20-13-3-2-4-14-15(13)18-16(21-14)11-5-7-12(17)8-6-11/h2-8,10,19H,9H2,1H3
InChIKeyDSLHYKPHCXRHHO-UHFFFAOYSA-N
XLogP3.86
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol
CID 82190338
2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol
CID 82190371
4-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]butan-1-amine
CID 82190331
(2R)-1-(2-methylquinolin-8-yl)oxypropan-2-ol
CID 70983446
[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
N-[2-(dimethylamino)ethyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide;hydrochloride
CID 18581467
2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190401
2-[[2-(dimethylamino)-1,3-benzothiazol-4-yl]oxy]ethane-1,1-diamine;dihydrochloride
CID 68551844
ethyl 5-cyano-4-[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
CID 15676503
1-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]ethanol
CID 62651773
1-(2-chloro-4-fluorophenoxy)propan-2-ol
CID 65277724

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]propan-2-ol?
The IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]propan-2-ol (CID 82190372) is 1-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]propan-2-ol.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]propan-2-ol?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]propan-2-ol is CC(O)COc1cccc2sc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]propan-2-ol?
The InChIKey is DSLHYKPHCXRHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2S/c1-10(19)9-20-13-3-2-4-14-15(13)18-16(21-14)11-5-7-12(17)8-6-11/h2-8,10,19H,9H2,1H3.
What are the key properties of 1-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]propan-2-ol?
1-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]propan-2-ol has a molecular weight of 303.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]propan-2-ol is sourced from PubChem (CID 82190372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).