2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine

C11H14N2O2S — CID 79512407

IUPAC2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine
SMILESCOc1ccc2nc(COCCN)sc2c1
InChIInChI=1S/C11H14N2O2S/c1-14-8-2-3-9-10(6-8)16-11(13-9)7-15-5-4-12/h2-3,6H,4-5,7,12H2,1H3
InChIKeyUNRPPGIAVBCNPV-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.78
Rot. Bonds5

About 2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine

2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine (PubChem CID 79512407) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine.

Molecular Properties

Compound Name2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine
PubChem CID79512407
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine
SMILESCOc1ccc2nc(COCCN)sc2c1
InChIInChI=1S/C11H14N2O2S/c1-14-8-2-3-9-10(6-8)16-11(13-9)7-15-5-4-12/h2-3,6H,4-5,7,12H2,1H3
InChIKeyUNRPPGIAVBCNPV-UHFFFAOYSA-N
XLogP1.78
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-methoxy-1,3-benzothiazol-2-yl)ethanamine
CID 39106649
6-methoxy-2-(nitrosomethyl)-1,3-benzothiazole
CID 123202651
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189832
1-(6-methoxy-1,3-benzothiazol-2-yl)ethane-1,2-diamine
CID 18449216
CID 158604119
CID 158604119
6-methoxy-2-(thiophen-2-ylmethyl)-1,3-benzothiazole
CID 67564031
3-[(2-butyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189964
ethyl 3-(6-methoxy-1,3-benzothiazol-2-yl)propanoate
CID 146663754
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
6-methoxy-2-(naphthalen-1-ylmethyl)-1,3-benzothiazole
CID 57312880
[1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 120841920
3-chloro-N-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]aniline
CID 79511098

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine?
The IUPAC name of 2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine (CID 79512407) is 2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine.
What is the SMILES notation for 2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine?
The canonical SMILES for 2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine is COc1ccc2nc(COCCN)sc2c1.
What is the InChIKey of 2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine?
The InChIKey is UNRPPGIAVBCNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-14-8-2-3-9-10(6-8)16-11(13-9)7-15-5-4-12/h2-3,6H,4-5,7,12H2,1H3.
What are the key properties of 2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine?
2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine has a molecular weight of 238.31 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1,3-benzothiazol-2-yl)methoxy]ethanamine is sourced from PubChem (CID 79512407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).