5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxyphenol

C16H15NO2S — CID 155804507

IUPAC5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxyphenol
SMILESCOc1ccc(CCc2nc3ccccc3s2)cc1O
InChIInChI=1S/C16H15NO2S/c1-19-14-8-6-11(10-13(14)18)7-9-16-17-12-4-2-3-5-15(12)20-16/h2-6,8,10,18H,7,9H2,1H3
InChIKeyQNHPMOUOOZOFMX-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.80
Rot. Bonds4

About 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxyphenol

5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxyphenol (PubChem CID 155804507) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxyphenol
PubChem CID155804507
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxyphenol
SMILESCOc1ccc(CCc2nc3ccccc3s2)cc1O
InChIInChI=1S/C16H15NO2S/c1-19-14-8-6-11(10-13(14)18)7-9-16-17-12-4-2-3-5-15(12)20-16/h2-6,8,10,18H,7,9H2,1H3
InChIKeyQNHPMOUOOZOFMX-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 95745
2-(4-Methoxyphenyl)benzothiazole
CID 95753
tyrphostin AG 825
CID 6091659
GW-610
CID 6712941
2-(1,3-Benzodioxol-5-yl)-1,3-benzothiazole
CID 781196
2-(2'-Hydroxy-3'-methoxyphenyl)benzothiazole
CID 95754
2-(2-Methoxyphenyl)benzothiazole
CID 95764
2-(3,4-Diethoxyphenyl)-5-fluorobenzothiazole
CID 11666845
3-(1,3-Benzothiazol-2-yl)phenol
CID 242605
2-(3-Methoxyphenyl)-1,3-benzothiazole
CID 833673
4-(1,3-Benzothiazol-2-yl)-2-ethoxyphenol
CID 233994
2-(4-Methoxyphenyl)-1,3-benzothiazol-6-ol
CID 85946432

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxyphenol?
The IUPAC name of 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxyphenol (CID 155804507) is 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxyphenol.
What is the SMILES notation for 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxyphenol?
The canonical SMILES for 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxyphenol is COc1ccc(CCc2nc3ccccc3s2)cc1O.
What is the InChIKey of 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxyphenol?
The InChIKey is QNHPMOUOOZOFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-19-14-8-6-11(10-13(14)18)7-9-16-17-12-4-2-3-5-15(12)20-16/h2-6,8,10,18H,7,9H2,1H3.
What are the key properties of 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxyphenol?
5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxyphenol has a molecular weight of 285.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,3-benzothiazol-2-yl)ethyl]-2-methoxyphenol is sourced from PubChem (CID 155804507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).