2-[2-[2-[2-[4-[7-(dimethylamino)-1,3-benzothiazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol

C23H30N2O5S — CID 142525663

IUPAC2-[2-[2-[2-[4-[7-(dimethylamino)-1,3-benzothiazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCN(C)c1cccc2nc(-c3ccc(OCCOCCOCCOCCO)cc3)sc12
InChIInChI=1S/C23H30N2O5S/c1-25(2)21-5-3-4-20-22(21)31-23(24-20)18-6-8-19(9-7-18)30-17-16-29-15-14-28-13-12-27-11-10-26/h3-9,26H,10-17H2,1-2H3
InChIKeyIPZQEQJQXYFFKL-UHFFFAOYSA-N
MW446.57 g/mol
LogP3.45
Rot. Bonds14

About 2-[2-[2-[2-[4-[7-(dimethylamino)-1,3-benzothiazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[4-[7-(dimethylamino)-1,3-benzothiazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 142525663) has the molecular formula C23H30N2O5S and a molecular weight of 446.57 g/mol. Its IUPAC name is 2-[2-[2-[2-[4-[7-(dimethylamino)-1,3-benzothiazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[4-[7-(dimethylamino)-1,3-benzothiazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID142525663
Molecular FormulaC23H30N2O5S
Molecular Weight446.57 g/mol
Exact Mass446.19
IUPAC Name2-[2-[2-[2-[4-[7-(dimethylamino)-1,3-benzothiazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCN(C)c1cccc2nc(-c3ccc(OCCOCCOCCOCCO)cc3)sc12
InChIInChI=1S/C23H30N2O5S/c1-25(2)21-5-3-4-20-22(21)31-23(24-20)18-6-8-19(9-7-18)30-17-16-29-15-14-28-13-12-27-11-10-26/h3-9,26H,10-17H2,1-2H3
InChIKeyIPZQEQJQXYFFKL-UHFFFAOYSA-N
XLogP3.45
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethanol
CID 68933643
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
2-(2-phenoxyethoxy)ethanol
CID 7715
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724
2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol
CID 138115637
2-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-3-phenylcycloprop-2-en-1-one
CID 170194757
2-[2-[4-[9-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-1,10-phenanthrolin-2-yl]phenoxy]ethoxy]ethanol
CID 102331818
4-[6-[2-[2-(aminomethoxy)ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylaniline
CID 172537261
4-[6-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3-benzothiazol-2-yl]-N,N-dimethylaniline
CID 172537270
2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 142525652
2-[2-[4-[2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethoxy]ethanol
CID 15607829

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[4-[7-(dimethylamino)-1,3-benzothiazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[4-[7-(dimethylamino)-1,3-benzothiazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 142525663) is 2-[2-[2-[2-[4-[7-(dimethylamino)-1,3-benzothiazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[4-[7-(dimethylamino)-1,3-benzothiazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[4-[7-(dimethylamino)-1,3-benzothiazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol is CN(C)c1cccc2nc(-c3ccc(OCCOCCOCCOCCO)cc3)sc12.
What is the InChIKey of 2-[2-[2-[2-[4-[7-(dimethylamino)-1,3-benzothiazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is IPZQEQJQXYFFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S/c1-25(2)21-5-3-4-20-22(21)31-23(24-20)18-6-8-19(9-7-18)30-17-16-29-15-14-28-13-12-27-11-10-26/h3-9,26H,10-17H2,1-2H3.
What are the key properties of 2-[2-[2-[2-[4-[7-(dimethylamino)-1,3-benzothiazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[4-[7-(dimethylamino)-1,3-benzothiazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 446.57 g/mol, XLogP of 3.45, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[4-[7-(dimethylamino)-1,3-benzothiazol-2-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 142525663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).