1-(1,3-benzothiazol-6-yloxy)propan-2-ol

C10H11NO2S — CID 82189802

IUPAC1-(1,3-benzothiazol-6-yloxy)propan-2-ol
SMILESCC(O)COc1ccc2ncsc2c1
InChIInChI=1S/C10H11NO2S/c1-7(12)5-13-8-2-3-9-10(4-8)14-6-11-9/h2-4,6-7,12H,5H2,1H3
InChIKeyDKZVZSYICWBTDA-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.06
Rot. Bonds3

About 1-(1,3-benzothiazol-6-yloxy)propan-2-ol

1-(1,3-benzothiazol-6-yloxy)propan-2-ol (PubChem CID 82189802) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-6-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-6-yloxy)propan-2-ol
PubChem CID82189802
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name1-(1,3-benzothiazol-6-yloxy)propan-2-ol
SMILESCC(O)COc1ccc2ncsc2c1
InChIInChI=1S/C10H11NO2S/c1-7(12)5-13-8-2-3-9-10(4-8)14-6-11-9/h2-4,6-7,12H,5H2,1H3
InChIKeyDKZVZSYICWBTDA-UHFFFAOYSA-N
XLogP2.06
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-propyl-1,3-benzothiazol-6-yl)oxy]propan-2-ol
CID 82189904
1-(1,3-benzothiazol-6-yl)ethanol
CID 19045355
2-(1,3-benzothiazol-6-yloxy)butanoic acid
CID 82189783
1,3-benzothiazol-6-yl hydrogen carbonate
CID 91502581
3-(1,3-benzothiazol-6-yloxy)propanoic acid
CID 82189785
1,3-benzothiazol-6-yloxy-tert-butyl-dimethylsilane
CID 141398892
(2S)-1-(4-bromo-3-methylphenoxy)propan-2-ol
CID 106933180
1-(3-bromo-4-methylphenoxy)propan-2-ol
CID 130815670
1-(6-bromonaphthalen-2-yl)oxypropan-2-ol
CID 65278074
1-(4-iodophenoxy)propan-2-ol
CID 65277775
1-[4-(1-hydroxyethoxy)phenoxy]propan-2-ol
CID 161419834
1-[(2-propyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol
CID 142666309

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-6-yloxy)propan-2-ol?
The IUPAC name of 1-(1,3-benzothiazol-6-yloxy)propan-2-ol (CID 82189802) is 1-(1,3-benzothiazol-6-yloxy)propan-2-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-6-yloxy)propan-2-ol?
The canonical SMILES for 1-(1,3-benzothiazol-6-yloxy)propan-2-ol is CC(O)COc1ccc2ncsc2c1.
What is the InChIKey of 1-(1,3-benzothiazol-6-yloxy)propan-2-ol?
The InChIKey is DKZVZSYICWBTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-7(12)5-13-8-2-3-9-10(4-8)14-6-11-9/h2-4,6-7,12H,5H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-6-yloxy)propan-2-ol?
1-(1,3-benzothiazol-6-yloxy)propan-2-ol has a molecular weight of 209.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-6-yloxy)propan-2-ol is sourced from PubChem (CID 82189802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).