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

C16H15NO2S — CID 82190338

IUPAC1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol
SMILESCC(O)COc1cccc2sc(-c3ccccc3)nc12
InChIInChI=1S/C16H15NO2S/c1-11(18)10-19-13-8-5-9-14-15(13)17-16(20-14)12-6-3-2-4-7-12/h2-9,11,18H,10H2,1H3
InChIKeyRWARNWHPADTUOW-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.72
Rot. Bonds4

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

1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol (PubChem CID 82190338) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol
PubChem CID82190338
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol
SMILESCC(O)COc1cccc2sc(-c3ccccc3)nc12
InChIInChI=1S/C16H15NO2S/c1-11(18)10-19-13-8-5-9-14-15(13)17-16(20-14)12-6-3-2-4-7-12/h2-9,11,18H,10H2,1H3
InChIKeyRWARNWHPADTUOW-UHFFFAOYSA-N
XLogP3.72
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.72
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
2-[[2-(4-fluorophenyl)-1,3-benzothiazol-4-yl]oxy]ethanol
CID 82190371
(2R)-1-(2-methylquinolin-8-yl)oxypropan-2-ol
CID 70983446
2-methyl-1-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]propan-2-amine
CID 82190405
(2-phenyl-1,3-benzothiazol-4-yl)methyl acetate
CID 15676484
2-[(2-pyridin-3-yl-1,3-benzothiazol-4-yl)oxy]ethanamine
CID 82190401
4-chloro-2-(4-phenylphenyl)-1,3-benzothiazole
CID 50850199
[2-(4-bromophenyl)-1,3-benzothiazol-4-yl] acetate
CID 10497893
phenyl-(2-phenyl-1,3-benzothiazol-4-yl)methanone
CID 135027581
(2S)-1-(2-bromophenoxy)propan-2-ol
CID 106933011
2-[(2-thiophen-2-yl-1,3-benzothiazol-4-yl)oxy]acetic acid
CID 82190423

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol?
The IUPAC name of 1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol (CID 82190338) is 1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol is CC(O)COc1cccc2sc(-c3ccccc3)nc12.
What is the InChIKey of 1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol?
The InChIKey is RWARNWHPADTUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-11(18)10-19-13-8-5-9-14-15(13)17-16(20-14)12-6-3-2-4-7-12/h2-9,11,18H,10H2,1H3.
What are the key properties of 1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol?
1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol has a molecular weight of 285.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenyl-1,3-benzothiazol-4-yl)oxy]propan-2-ol is sourced from PubChem (CID 82190338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).