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

C5H6BrNOS — CID 68557594

IUPAC2-(2-bromo-1,3-thiazol-5-yl)ethanol
SMILESOCCc1cnc(Br)s1
InChIInChI=1S/C5H6BrNOS/c6-5-7-3-4(9-5)1-2-8/h3,8H,1-2H2
InChIKeyBSSNEWVLEDJPHR-UHFFFAOYSA-N
MW208.08 g/mol
LogP1.44
Rot. Bonds2

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

2-(2-bromo-1,3-thiazol-5-yl)ethanol (PubChem CID 68557594) has the molecular formula C5H6BrNOS and a molecular weight of 208.08 g/mol. Its IUPAC name is 2-(2-bromo-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-1,3-thiazol-5-yl)ethanol
PubChem CID68557594
Molecular FormulaC5H6BrNOS
Molecular Weight208.08 g/mol
Exact Mass206.94
IUPAC Name2-(2-bromo-1,3-thiazol-5-yl)ethanol
SMILESOCCc1cnc(Br)s1
InChIInChI=1S/C5H6BrNOS/c6-5-7-3-4(9-5)1-2-8/h3,8H,1-2H2
InChIKeyBSSNEWVLEDJPHR-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,3-Thiazol-5-yl)ethan-1-ol
CID 11389596
2-(2-Methyl-thiazol-5-yl)-ethanol
CID 529638
(2-Bromo-1,3-thiazol-5-yl)methanol
CID 7213124
2-(2-Chloro-1,3-thiazol-5-yl)ethan-1-ol
CID 71721295
1-(2-Bromothiazol-5-yl)-2,2,2-trifluoroethanol
CID 59466567
1-(2-Bromo-1,3-thiazol-5-yl)-2,2-difluoroethanol
CID 177758015
2-(3-Methyl-1,3-thiazol-3-ium-5-yl)ethanol iodide
CID 176425521
2-[2-(Trifluoromethyl)-1,3-thiazol-5-yl]ethan-1-ol
CID 72214630
2-(2-Fluoro-1,3-thiazol-5-yl)ethanol
CID 84649153
(2S)-1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol
CID 104373802
(2R)-1,1,1-trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol
CID 104374030
1,1,1-Trifluoro-3-(1,3-thiazol-5-yl)propan-2-ol
CID 112642523

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-(2-bromo-1,3-thiazol-5-yl)ethanol (CID 68557594) is 2-(2-bromo-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(2-bromo-1,3-thiazol-5-yl)ethanol is OCCc1cnc(Br)s1.
What is the InChIKey of 2-(2-bromo-1,3-thiazol-5-yl)ethanol?
The InChIKey is BSSNEWVLEDJPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNOS/c6-5-7-3-4(9-5)1-2-8/h3,8H,1-2H2.
What are the key properties of 2-(2-bromo-1,3-thiazol-5-yl)ethanol?
2-(2-bromo-1,3-thiazol-5-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-(2-bromo-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 68557594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).