2-(4-bromo-1,3-thiazol-2-yl)ethanol

C5H6BrNOS — CID 83688029

IUPAC2-(4-bromo-1,3-thiazol-2-yl)ethanol
SMILESOCCc1nc(Br)cs1
InChIInChI=1S/C5H6BrNOS/c6-4-3-9-5(7-4)1-2-8/h3,8H,1-2H2
InChIKeyVHXXZOBYLIVGDL-UHFFFAOYSA-N
MW208.08 g/mol
LogP1.44
Rot. Bonds2

About 2-(4-bromo-1,3-thiazol-2-yl)ethanol

2-(4-bromo-1,3-thiazol-2-yl)ethanol (PubChem CID 83688029) has the molecular formula C5H6BrNOS and a molecular weight of 208.08 g/mol. Its IUPAC name is 2-(4-bromo-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-1,3-thiazol-2-yl)ethanol
PubChem CID83688029
Molecular FormulaC5H6BrNOS
Molecular Weight208.08 g/mol
Exact Mass206.94
IUPAC Name2-(4-bromo-1,3-thiazol-2-yl)ethanol
SMILESOCCc1nc(Br)cs1
InChIInChI=1S/C5H6BrNOS/c6-4-3-9-5(7-4)1-2-8/h3,8H,1-2H2
InChIKeyVHXXZOBYLIVGDL-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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Related Compounds

(4-Bromo-1,3-thiazol-2-yl)methanol
CID 11041630
1-(4-Bromo-1,3-thiazol-2-yl)-2,2,2-trifluoroethanol
CID 122432445
2-(4-Fluoro-1,3-thiazol-2-yl)ethanol
CID 169687342
(3S)-3-(4-bromo-1,3-thiazol-2-yl)butan-1-ol
CID 101486525
2-(4-Bromo-1,3-thiazol-2-yl)acetaldehyde
CID 87299647
(2R)-2-amino-2-(4-bromo-1,3-thiazol-2-yl)propan-1-ol
CID 126737645
5-(4-Bromo-1,3-thiazol-2-yl)pent-4-yn-2-ol
CID 134498539
Acetylene;(4-bromo-1,3-thiazol-2-yl)methanol
CID 143781545
4-Bromo-2-(2-methoxyethyl)-1,3-thiazole
CID 150319905
2-(4-Bromo-1,3-thiazol-2-yl)-2-methylpropan-1-ol
CID 175925917
(1R)-1-(4-bromo-1,3-thiazol-2-yl)-2-methylpropan-1-ol
CID 11447692
1-(4-Bromo-1,3-thiazol-2-yl)-2-methylpropan-1-ol
CID 72965364

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 2-(4-bromo-1,3-thiazol-2-yl)ethanol (CID 83688029) is 2-(4-bromo-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 2-(4-bromo-1,3-thiazol-2-yl)ethanol is OCCc1nc(Br)cs1.
What is the InChIKey of 2-(4-bromo-1,3-thiazol-2-yl)ethanol?
The InChIKey is VHXXZOBYLIVGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNOS/c6-4-3-9-5(7-4)1-2-8/h3,8H,1-2H2.
What are the key properties of 2-(4-bromo-1,3-thiazol-2-yl)ethanol?
2-(4-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-(4-bromo-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 83688029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).