2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol

C15H15NO2S — CID 66459666

IUPAC2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol
SMILESCc1cc(C(O)Cc2nc3ccccc3s2)c(C)o1
InChIInChI=1S/C15H15NO2S/c1-9-7-11(10(2)18-9)13(17)8-15-16-12-5-3-4-6-14(12)19-15/h3-7,13,17H,8H2,1-2H3
InChIKeyPYQOGFIXXOUURZ-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.78
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol

2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol (PubChem CID 66459666) has the molecular formula C15H15NO2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol
PubChem CID66459666
Molecular FormulaC15H15NO2S
Molecular Weight273.36 g/mol
Exact Mass273.08
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol
SMILESCc1cc(C(O)Cc2nc3ccccc3s2)c(C)o1
InChIInChI=1S/C15H15NO2S/c1-9-7-11(10(2)18-9)13(17)8-15-16-12-5-3-4-6-14(12)19-15/h3-7,13,17H,8H2,1-2H3
InChIKeyPYQOGFIXXOUURZ-UHFFFAOYSA-N
XLogP3.78
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-yl)-1-(4-methylthiophen-3-yl)ethanol
CID 79818416
1-(1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-ol
CID 79826149
2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol
CID 79205491
2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol
CID 66461067
1-(2-amino-5-fluorophenyl)-2-(1,3-benzothiazol-2-yl)ethanol
CID 82685328
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254
2-(1,3-benzothiazol-2-yl)-1-(5-chlorothiophen-2-yl)ethanol
CID 66461877
1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol
CID 66461092
2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol
CID 66460874
2-(1,3-benzothiazol-2-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 79819245
[2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105325082

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol (CID 66459666) is 2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol is Cc1cc(C(O)Cc2nc3ccccc3s2)c(C)o1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol?
The InChIKey is PYQOGFIXXOUURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2S/c1-9-7-11(10(2)18-9)13(17)8-15-16-12-5-3-4-6-14(12)19-15/h3-7,13,17H,8H2,1-2H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol?
2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol has a molecular weight of 273.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol is sourced from PubChem (CID 66459666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).