2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol

C18H20N2O4S — CID 138115637

IUPAC2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOc1ccc2nc(-c3ccccn3)sc2c1
InChIInChI=1S/C18H20N2O4S/c21-7-8-22-9-10-23-11-12-24-14-4-5-15-17(13-14)25-18(20-15)16-3-1-2-6-19-16/h1-6,13,21H,7-12H2
InChIKeyBGSSHKJRDRTHCP-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.76
Rot. Bonds10

About 2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol

2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol (PubChem CID 138115637) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol
PubChem CID138115637
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOc1ccc2nc(-c3ccccn3)sc2c1
InChIInChI=1S/C18H20N2O4S/c21-7-8-22-9-10-23-11-12-24-14-4-5-15-17(13-14)25-18(20-15)16-3-1-2-6-19-16/h1-6,13,21H,7-12H2
InChIKeyBGSSHKJRDRTHCP-UHFFFAOYSA-N
XLogP2.76
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol (CID 138115637) is 2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOc1ccc2nc(-c3ccccn3)sc2c1.
What is the InChIKey of 2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol?
The InChIKey is BGSSHKJRDRTHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-7-8-22-9-10-23-11-12-24-14-4-5-15-17(13-14)25-18(20-15)16-3-1-2-6-19-16/h1-6,13,21H,7-12H2.
What are the key properties of 2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol has a molecular weight of 360.44 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2-pyridin-2-yl-1,3-benzothiazol-6-yl)oxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 138115637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).