1-(4-bromo-1,2-thiazol-5-yl)ethanol

C5H6BrNOS — CID 84675764

IUPAC1-(4-bromo-1,2-thiazol-5-yl)ethanol
SMILESCC(O)c1sncc1Br
InChIInChI=1S/C5H6BrNOS/c1-3(8)5-4(6)2-7-9-5/h2-3,8H,1H3
InChIKeyLUCYYORRXRQVGG-UHFFFAOYSA-N
MW208.08 g/mol
LogP1.96
Rot. Bonds1

About 1-(4-bromo-1,2-thiazol-5-yl)ethanol

1-(4-bromo-1,2-thiazol-5-yl)ethanol (PubChem CID 84675764) has the molecular formula C5H6BrNOS and a molecular weight of 208.08 g/mol. Its IUPAC name is 1-(4-bromo-1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1,2-thiazol-5-yl)ethanol
PubChem CID84675764
Molecular FormulaC5H6BrNOS
Molecular Weight208.08 g/mol
Exact Mass206.94
IUPAC Name1-(4-bromo-1,2-thiazol-5-yl)ethanol
SMILESCC(O)c1sncc1Br
InChIInChI=1S/C5H6BrNOS/c1-3(8)5-4(6)2-7-9-5/h2-3,8H,1H3
InChIKeyLUCYYORRXRQVGG-UHFFFAOYSA-N
XLogP1.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.08
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1,2-thiazol-5-yl)ethanol?
The IUPAC name of 1-(4-bromo-1,2-thiazol-5-yl)ethanol (CID 84675764) is 1-(4-bromo-1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-(4-bromo-1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 1-(4-bromo-1,2-thiazol-5-yl)ethanol is CC(O)c1sncc1Br.
What is the InChIKey of 1-(4-bromo-1,2-thiazol-5-yl)ethanol?
The InChIKey is LUCYYORRXRQVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNOS/c1-3(8)5-4(6)2-7-9-5/h2-3,8H,1H3.
What are the key properties of 1-(4-bromo-1,2-thiazol-5-yl)ethanol?
1-(4-bromo-1,2-thiazol-5-yl)ethanol has a molecular weight of 208.08 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 84675764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).