2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole

C20H23NO4S — CID 141369709

IUPAC2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole
SMILESCOCCOCCOCCOc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C20H23NO4S/c1-22-10-11-23-12-13-24-14-15-25-18-8-4-2-6-16(18)20-21-17-7-3-5-9-19(17)26-20/h2-9H,10-15H2,1H3
InChIKeyWARQMFKHTXTWLT-UHFFFAOYSA-N
MW373.47 g/mol
LogP4.02
Rot. Bonds11

About 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole

2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole (PubChem CID 141369709) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole
PubChem CID141369709
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole
SMILESCOCCOCCOCCOc1ccccc1-c1nc2ccccc2s1
InChIInChI=1S/C20H23NO4S/c1-22-10-11-23-12-13-24-14-15-25-18-8-4-2-6-16(18)20-21-17-7-3-5-9-19(17)26-20/h2-9H,10-15H2,1H3
InChIKeyWARQMFKHTXTWLT-UHFFFAOYSA-N
XLogP4.02
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole
CID 102361398
(2S)-1-[2-(1,3-benzothiazol-2-yl)phenoxy]-3-methoxypropan-2-ol
CID 167990487
2-[2-[[2-(1,3-benzothiazol-2-yl)phenoxy]methoxy]phenyl]-1,3-benzothiazole;zinc
CID 143715432
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
2-[2-(oxiran-2-ylmethoxy)phenyl]-1,3-benzothiazole
CID 23289243
N-[4-(1,3-benzothiazol-2-yl)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-fluoro-3-methylbenzamide
CID 70896939
[2-(1,3-benzothiazol-2-yl)phenoxy]-trimethylsilane
CID 170680401
2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 142525652
2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole
CID 16766166
2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
CID 142679253
2,3-bis[2-(2-methoxyethoxy)ethoxy]phenazine
CID 156904974
[2-(1,3-benzothiazol-2-yl)phenyl] 2,2-dimethylbutanoate
CID 58291241

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole?
The IUPAC name of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole (CID 141369709) is 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole.
What is the SMILES notation for 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole?
The canonical SMILES for 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole is COCCOCCOCCOc1ccccc1-c1nc2ccccc2s1.
What is the InChIKey of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole?
The InChIKey is WARQMFKHTXTWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-22-10-11-23-12-13-24-14-15-25-18-8-4-2-6-16(18)20-21-17-7-3-5-9-19(17)26-20/h2-9H,10-15H2,1H3.
What are the key properties of 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole?
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole has a molecular weight of 373.47 g/mol, XLogP of 4.02, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole is sourced from PubChem (CID 141369709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).