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

C15H14N2O2S — CID 136712634

IUPAC2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol
SMILESCCOc1ccc2nc(-c3cccc(N)c3O)sc2c1
InChIInChI=1S/C15H14N2O2S/c1-2-19-9-6-7-12-13(8-9)20-15(17-12)10-4-3-5-11(16)14(10)18/h3-8,18H,2,16H2,1H3
InChIKeyBPEJCNPGVKEGSK-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.65
Rot. Bonds3

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

2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol (PubChem CID 136712634) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol.

Molecular Properties

Compound Name2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol
PubChem CID136712634
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol
SMILESCCOc1ccc2nc(-c3cccc(N)c3O)sc2c1
InChIInChI=1S/C15H14N2O2S/c1-2-19-9-6-7-12-13(8-9)20-15(17-12)10-4-3-5-11(16)14(10)18/h3-8,18H,2,16H2,1H3
InChIKeyBPEJCNPGVKEGSK-UHFFFAOYSA-N
XLogP3.65
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(6-methyl-1,3-benzothiazol-2-yl)phenol
CID 136980092
2-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylaniline
CID 79511111
4-(6-ethoxy-1,3-benzothiazol-2-yl)-1H-pyrazol-5-amine
CID 79518693
2-amino-6-(1,3-benzothiazol-2-yl)phenol
CID 135623123
4-(6-ethoxy-1,3-benzothiazol-2-yl)pyridin-2-amine
CID 79519060
2-(2-aminophenyl)-1,3-benzothiazol-6-ol
CID 149215571
2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518172
2-[4-(4-ethoxyphenyl)phenyl]-6-methoxy-1,3-benzothiazole
CID 146253203
2-(6-ethoxy-1,3-benzothiazol-2-yl)-2-methylpropan-1-amine
CID 113308023
1-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2-dimethylpropan-1-amine
CID 79511739
6-ethoxy-2-[(6-ethoxy-1,3-benzothiazol-2-yl)disulfanyl]-1,3-benzothiazole
CID 22748454
2-amino-2-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518392

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol?
The IUPAC name of 2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol (CID 136712634) is 2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol.
What is the SMILES notation for 2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol?
The canonical SMILES for 2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol is CCOc1ccc2nc(-c3cccc(N)c3O)sc2c1.
What is the InChIKey of 2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol?
The InChIKey is BPEJCNPGVKEGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-2-19-9-6-7-12-13(8-9)20-15(17-12)10-4-3-5-11(16)14(10)18/h3-8,18H,2,16H2,1H3.
What are the key properties of 2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol?
2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol has a molecular weight of 286.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(6-ethoxy-1,3-benzothiazol-2-yl)phenol is sourced from PubChem (CID 136712634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).