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

C5H6BrNOS — CID 83688030

IUPAC2-(5-bromo-1,3-thiazol-2-yl)ethanol
SMILESOCCc1ncc(Br)s1
InChIInChI=1S/C5H6BrNOS/c6-4-3-7-5(9-4)1-2-8/h3,8H,1-2H2
InChIKeyDDXRAELMTWIYCD-UHFFFAOYSA-N
MW208.08 g/mol
LogP1.44
Rot. Bonds2

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

2-(5-bromo-1,3-thiazol-2-yl)ethanol (PubChem CID 83688030) has the molecular formula C5H6BrNOS and a molecular weight of 208.08 g/mol. Its IUPAC name is 2-(5-bromo-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-1,3-thiazol-2-yl)ethanol
PubChem CID83688030
Molecular FormulaC5H6BrNOS
Molecular Weight208.08 g/mol
Exact Mass206.94
IUPAC Name2-(5-bromo-1,3-thiazol-2-yl)ethanol
SMILESOCCc1ncc(Br)s1
InChIInChI=1S/C5H6BrNOS/c6-4-3-7-5(9-4)1-2-8/h3,8H,1-2H2
InChIKeyDDXRAELMTWIYCD-UHFFFAOYSA-N
XLogP1.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.08
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2-(5-bromo-1,3-thiazol-2-yl)ethanol (CID 83688030) is 2-(5-bromo-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2-(5-bromo-1,3-thiazol-2-yl)ethanol is OCCc1ncc(Br)s1.
What is the InChIKey of 2-(5-bromo-1,3-thiazol-2-yl)ethanol?
The InChIKey is DDXRAELMTWIYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNOS/c6-4-3-7-5(9-4)1-2-8/h3,8H,1-2H2.
What are the key properties of 2-(5-bromo-1,3-thiazol-2-yl)ethanol?
2-(5-bromo-1,3-thiazol-2-yl)ethanol has a molecular weight of 208.08 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 83688030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).