2-(2-methoxyethoxy)-1,3-benzothiazole

C10H11NO2S — CID 2057592

IUPAC2-(2-methoxyethoxy)-1,3-benzothiazole
SMILESCOCCOc1nc2ccccc2s1
InChIInChI=1S/C10H11NO2S/c1-12-6-7-13-10-11-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3
InChIKeyWLAREINQKXYEOY-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.32
Rot. Bonds4

About 2-(2-methoxyethoxy)-1,3-benzothiazole

2-(2-methoxyethoxy)-1,3-benzothiazole (PubChem CID 2057592) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1,3-benzothiazole
PubChem CID2057592
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name2-(2-methoxyethoxy)-1,3-benzothiazole
SMILESCOCCOc1nc2ccccc2s1
InChIInChI=1S/C10H11NO2S/c1-12-6-7-13-10-11-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3
InChIKeyWLAREINQKXYEOY-UHFFFAOYSA-N
XLogP2.32
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1,3-benzothiazole?
The IUPAC name of 2-(2-methoxyethoxy)-1,3-benzothiazole (CID 2057592) is 2-(2-methoxyethoxy)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-methoxyethoxy)-1,3-benzothiazole?
The canonical SMILES for 2-(2-methoxyethoxy)-1,3-benzothiazole is COCCOc1nc2ccccc2s1.
What is the InChIKey of 2-(2-methoxyethoxy)-1,3-benzothiazole?
The InChIKey is WLAREINQKXYEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-12-6-7-13-10-11-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)-1,3-benzothiazole?
2-(2-methoxyethoxy)-1,3-benzothiazole has a molecular weight of 209.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-1,3-benzothiazole is sourced from PubChem (CID 2057592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).