2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole

C11H13NO3S — CID 67575086

IUPAC2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole
SMILESCOCCOc1ccc2nc(OC)sc2c1
InChIInChI=1S/C11H13NO3S/c1-13-5-6-15-8-3-4-9-10(7-8)16-11(12-9)14-2/h3-4,7H,5-6H2,1-2H3
InChIKeyADCBCKZGVAGYLK-UHFFFAOYSA-N
MW239.30 g/mol
LogP2.33
Rot. Bonds5

About 2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole

2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole (PubChem CID 67575086) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole.

Molecular Properties

Compound Name2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole
PubChem CID67575086
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole
SMILESCOCCOc1ccc2nc(OC)sc2c1
InChIInChI=1S/C11H13NO3S/c1-13-5-6-15-8-3-4-9-10(7-8)16-11(12-9)14-2/h3-4,7H,5-6H2,1-2H3
InChIKeyADCBCKZGVAGYLK-UHFFFAOYSA-N
XLogP2.33
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[6-(2-methoxyethoxy)-1,3-benzothiazol-2-yl]butanamide
CID 17244938
CID 89011087
CID 89011087
2-bromo-6-propoxy-1,3-benzothiazole
CID 97033817
(6-methoxy-1,3-benzothiazol-2-yl)oxy-methylphosphinic acid
CID 175512314
2-[(2-chloro-1,3-benzothiazol-6-yl)oxy]-N,N-diethylethanamine
CID 15817632
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189832
N-ethyl-6-propoxy-1,3-benzothiazol-2-amine
CID 82105820
6-butoxy-1,3-benzothiazole-2-carbonitrile
CID 130461689
3-[(2-ethyl-1,3-benzothiazol-6-yl)oxy]propan-1-ol
CID 82189843
2-(4-methoxyphenoxy)-1,3-benzothiazol-6-amine
CID 55176124
6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
CID 59282924
2-methoxy-6-nitro-1,3-benzothiazole
CID 638562

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole?
The IUPAC name of 2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole (CID 67575086) is 2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole.
What is the SMILES notation for 2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole?
The canonical SMILES for 2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole is COCCOc1ccc2nc(OC)sc2c1.
What is the InChIKey of 2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole?
The InChIKey is ADCBCKZGVAGYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-13-5-6-15-8-3-4-9-10(7-8)16-11(12-9)14-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole?
2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole has a molecular weight of 239.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(2-methoxyethoxy)-1,3-benzothiazole is sourced from PubChem (CID 67575086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).