2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol

C17H17NO2S — CID 66461067

IUPAC2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol
SMILESCCOc1ccc(C(O)Cc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H17NO2S/c1-2-20-13-9-7-12(8-10-13)15(19)11-17-18-14-5-3-4-6-16(14)21-17/h3-10,15,19H,2,11H2,1H3
InChIKeyBLVDWTZNXURZSZ-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.97
Rot. Bonds5

About 2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol

2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol (PubChem CID 66461067) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol
PubChem CID66461067
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol
SMILESCCOc1ccc(C(O)Cc2nc3ccccc3s2)cc1
InChIInChI=1S/C17H17NO2S/c1-2-20-13-9-7-12(8-10-13)15(19)11-17-18-14-5-3-4-6-16(14)21-17/h3-10,15,19H,2,11H2,1H3
InChIKeyBLVDWTZNXURZSZ-UHFFFAOYSA-N
XLogP3.97
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-bromo-2-(4-ethoxyphenyl)ethyl]-1,3-benzothiazole
CID 66460052
2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
2-(1,3-benzothiazol-2-yl)-1-(4-methylthiophen-3-yl)ethanol
CID 79818416
3-(1,3-benzothiazol-2-yl)-1,1-diethoxypropan-2-ol
CID 79818770
2-(1,3-benzothiazol-2-yl)-1-(2-methylsulfanylphenyl)ethanol
CID 79205491
2-[2-chloro-2-(4-methoxyphenyl)ethyl]-1,3-benzothiazole
CID 66459132
2-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylfuran-3-yl)ethanol
CID 66459666
1-[4-(1,3-benzothiazol-2-ylmethoxy)phenyl]ethanamine
CID 104630917
2-(1,3-benzothiazol-2-yl)-1-(4-bromo-3-fluorophenyl)ethanol
CID 66460480
2-(1,3-benzothiazol-2-yl)-1-(3-ethyl-2-pyridinyl)ethanol
CID 82731383
1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-ol
CID 115823008
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
CID 11806254

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol (CID 66461067) is 2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol is CCOc1ccc(C(O)Cc2nc3ccccc3s2)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol?
The InChIKey is BLVDWTZNXURZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-2-20-13-9-7-12(8-10-13)15(19)11-17-18-14-5-3-4-6-16(14)21-17/h3-10,15,19H,2,11H2,1H3.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol?
2-(1,3-benzothiazol-2-yl)-1-(4-ethoxyphenyl)ethanol has a molecular weight of 299.40 g/mol, XLogP of 3.97, 5 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-(4-ethoxyphenyl)ethanol is sourced from PubChem (CID 66461067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).