2-(3-methoxy-1,2-thiazol-5-yl)ethanol

C6H9NO2S — CID 131050531

IUPAC2-(3-methoxy-1,2-thiazol-5-yl)ethanol
SMILESCOc1cc(CCO)sn1
InChIInChI=1S/C6H9NO2S/c1-9-6-4-5(2-3-8)10-7-6/h4,8H,2-3H2,1H3
InChIKeyXLSYWUBATVJJKT-UHFFFAOYSA-N
MW159.21 g/mol
LogP0.69
Rot. Bonds3

About 2-(3-methoxy-1,2-thiazol-5-yl)ethanol

2-(3-methoxy-1,2-thiazol-5-yl)ethanol (PubChem CID 131050531) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is 2-(3-methoxy-1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-methoxy-1,2-thiazol-5-yl)ethanol
PubChem CID131050531
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name2-(3-methoxy-1,2-thiazol-5-yl)ethanol
SMILESCOc1cc(CCO)sn1
InChIInChI=1S/C6H9NO2S/c1-9-6-4-5(2-3-8)10-7-6/h4,8H,2-3H2,1H3
InChIKeyXLSYWUBATVJJKT-UHFFFAOYSA-N
XLogP0.69
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-1,2-thiazol-5-yl)ethanol?
The IUPAC name of 2-(3-methoxy-1,2-thiazol-5-yl)ethanol (CID 131050531) is 2-(3-methoxy-1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-methoxy-1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(3-methoxy-1,2-thiazol-5-yl)ethanol is COc1cc(CCO)sn1.
What is the InChIKey of 2-(3-methoxy-1,2-thiazol-5-yl)ethanol?
The InChIKey is XLSYWUBATVJJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-9-6-4-5(2-3-8)10-7-6/h4,8H,2-3H2,1H3.
What are the key properties of 2-(3-methoxy-1,2-thiazol-5-yl)ethanol?
2-(3-methoxy-1,2-thiazol-5-yl)ethanol has a molecular weight of 159.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 131050531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).