2-[2-(1,3-thiazol-2-yl)ethoxy]ethanol

C7H11NO2S — CID 141135134

IUPAC2-[2-(1,3-thiazol-2-yl)ethoxy]ethanol
SMILESOCCOCCc1nccs1
InChIInChI=1S/C7H11NO2S/c9-3-5-10-4-1-7-8-2-6-11-7/h2,6,9H,1,3-5H2
InChIKeyOWGASOFBOHKGOZ-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.69
Rot. Bonds5

About 2-[2-(1,3-thiazol-2-yl)ethoxy]ethanol

2-[2-(1,3-thiazol-2-yl)ethoxy]ethanol (PubChem CID 141135134) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-[2-(1,3-thiazol-2-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(1,3-thiazol-2-yl)ethoxy]ethanol
PubChem CID141135134
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name2-[2-(1,3-thiazol-2-yl)ethoxy]ethanol
SMILESOCCOCCc1nccs1
InChIInChI=1S/C7H11NO2S/c9-3-5-10-4-1-7-8-2-6-11-7/h2,6,9H,1,3-5H2
InChIKeyOWGASOFBOHKGOZ-UHFFFAOYSA-N
XLogP0.69
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,3-thiazol-2-yl)ethoxy]ethanol?
The IUPAC name of 2-[2-(1,3-thiazol-2-yl)ethoxy]ethanol (CID 141135134) is 2-[2-(1,3-thiazol-2-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(1,3-thiazol-2-yl)ethoxy]ethanol?
The canonical SMILES for 2-[2-(1,3-thiazol-2-yl)ethoxy]ethanol is OCCOCCc1nccs1.
What is the InChIKey of 2-[2-(1,3-thiazol-2-yl)ethoxy]ethanol?
The InChIKey is OWGASOFBOHKGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c9-3-5-10-4-1-7-8-2-6-11-7/h2,6,9H,1,3-5H2.
What are the key properties of 2-[2-(1,3-thiazol-2-yl)ethoxy]ethanol?
2-[2-(1,3-thiazol-2-yl)ethoxy]ethanol has a molecular weight of 173.24 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-thiazol-2-yl)ethoxy]ethanol is sourced from PubChem (CID 141135134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).