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

C24H31NO6S — CID 142525652

IUPAC2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCOCCc1cc(-c2nc3ccccc3s2)ccc1OCCOCCOCCOCCO
InChIInChI=1S/C24H31NO6S/c1-27-10-8-19-18-20(24-25-21-4-2-3-5-23(21)32-24)6-7-22(19)31-17-16-30-15-14-29-13-12-28-11-9-26/h2-7,18,26H,8-17H2,1H3
InChIKeyQFHXIEYNJSUQEX-UHFFFAOYSA-N
MW461.58 g/mol
LogP3.57
Rot. Bonds16

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

2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 142525652) has the molecular formula C24H31NO6S and a molecular weight of 461.58 g/mol. Its IUPAC name is 2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID142525652
Molecular FormulaC24H31NO6S
Molecular Weight461.58 g/mol
Exact Mass461.19
IUPAC Name2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESCOCCc1cc(-c2nc3ccccc3s2)ccc1OCCOCCOCCOCCO
InChIInChI=1S/C24H31NO6S/c1-27-10-8-19-18-20(24-25-21-4-2-3-5-23(21)32-24)6-7-22(19)31-17-16-30-15-14-29-13-12-28-11-9-26/h2-7,18,26H,8-17H2,1H3
InChIKeyQFHXIEYNJSUQEX-UHFFFAOYSA-N
XLogP3.57
TPSA79.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol with MolForge

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Related Compounds

N-[5-(1,3-benzothiazol-2-yl)-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]acetamide
CID 142525643
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-1,3-benzothiazole
CID 141369709
5-(1,3-benzothiazol-2-yl)-2-(methoxymethoxy)aniline
CID 71567260
(E)-N-[5-(1,3-benzothiazol-2-yl)-2-(2-methoxyethoxy)phenyl]but-2-en-1-imine
CID 174769562
5-(1,3-benzothiazol-2-yl)-2-methoxyphenol
CID 161368549
2-[4-[2-(4-tert-butylphenoxy)ethoxy]-3-methoxyphenyl]-1,3-benzothiazole
CID 126263509
2-[2-[2-[2-[2-(1,3-benzothiazol-2-yl)phenoxy]ethoxy]ethoxy]phenyl]-1,3-benzothiazole
CID 102361398
[5-(1,3-benzothiazol-2-yl)-2-fluorophenyl]methanol
CID 56715205
2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol
CID 138115637
2-[2-[[2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-yl]oxy]ethoxy]ethanol
CID 68933643
2-[4-methoxy-3-(1,2,4-triazol-4-yl)phenyl]-1,3-benzothiazole
CID 50849775
2-(3,4,5-trimethoxyphenyl)-1,3-benzothiazole
CID 160986314

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 142525652) is 2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol is COCCc1cc(-c2nc3ccccc3s2)ccc1OCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is QFHXIEYNJSUQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO6S/c1-27-10-8-19-18-20(24-25-21-4-2-3-5-23(21)32-24)6-7-22(19)31-17-16-30-15-14-29-13-12-28-11-9-26/h2-7,18,26H,8-17H2,1H3.
What are the key properties of 2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[4-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 461.58 g/mol, XLogP of 3.57, 16 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-(1,3-benzothiazol-2-yl)-2-(2-methoxyethyl)phenoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 142525652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).