2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol

C11H14N2O2S — CID 79518172

IUPAC2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
SMILESCCOc1ccc2nc(C(O)CN)sc2c1
InChIInChI=1S/C11H14N2O2S/c1-2-15-7-3-4-8-10(5-7)16-11(13-8)9(14)6-12/h3-5,9,14H,2,6,12H2,1H3
InChIKeyKKZCMQGEOIEJDM-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.69
Rot. Bonds4

About 2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol

2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol (PubChem CID 79518172) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
PubChem CID79518172
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
SMILESCCOc1ccc2nc(C(O)CN)sc2c1
InChIInChI=1S/C11H14N2O2S/c1-2-15-7-3-4-8-10(5-7)16-11(13-8)9(14)6-12/h3-5,9,14H,2,6,12H2,1H3
InChIKeyKKZCMQGEOIEJDM-UHFFFAOYSA-N
XLogP1.69
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518392
1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
CID 79511739
4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine
CID 113441133
N-[1-(6-ethoxy-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
CID 79873288
3-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 81072937
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 113308023
6-ethoxy-2-[(6-ethoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 22748454
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
N'-(6-ethoxy-1,3-benzothiazol-2-yl)-N'-methylethane-1,2-diamine
CID 123503017
1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 18449216
(1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol
CID 54307372

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol?
The IUPAC name of 2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol (CID 79518172) is 2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol.
What is the SMILES notation for 2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol?
The canonical SMILES for 2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol is CCOc1ccc2nc(C(O)CN)sc2c1.
What is the InChIKey of 2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol?
The InChIKey is KKZCMQGEOIEJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-2-15-7-3-4-8-10(5-7)16-11(13-8)9(14)6-12/h3-5,9,14H,2,6,12H2,1H3.
What are the key properties of 2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol?
2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol has a molecular weight of 238.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol is sourced from PubChem (CID 79518172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).