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

C5H6BrNOS — CID 66222830

IUPAC1-(5-bromo-1,3-thiazol-2-yl)ethanol
SMILESCC(O)c1ncc(Br)s1
InChIInChI=1S/C5H6BrNOS/c1-3(8)5-7-2-4(6)9-5/h2-3,8H,1H3
InChIKeyBJNWDFBORWABQJ-UHFFFAOYSA-N
MW208.08 g/mol
LogP1.96
Rot. Bonds1

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

1-(5-bromo-1,3-thiazol-2-yl)ethanol (PubChem CID 66222830) has the molecular formula C5H6BrNOS and a molecular weight of 208.08 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)ethanol
PubChem CID66222830
Molecular FormulaC5H6BrNOS
Molecular Weight208.08 g/mol
Exact Mass206.94
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)ethanol
SMILESCC(O)c1ncc(Br)s1
InChIInChI=1S/C5H6BrNOS/c1-3(8)5-7-2-4(6)9-5/h2-3,8H,1H3
InChIKeyBJNWDFBORWABQJ-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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Related Compounds

1-(1,3-Thiazol-2-yl)ethan-1-ol
CID 9989295
alpha,5-Dimethyl-2-thiazolemethanol
CID 46785227
(1S)-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 10796762
(1R)-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 11423603
(5-Bromo-1,3-thiazol-2-yl)methanol
CID 11953783
2-(5-Bromo-1,3-thiazol-2-yl)ethan-1-ol
CID 83688030
(1R)-1-(1,3-thiazol-2-yl)propan-1-ol hydrochloride
CID 170913972
2-Thiazolemethanol, 5-bromo-alpha-(difluoromethyl)-
CID 58456326
2-(5-Bromothiazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 118184044
2-Fluoro-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 165697449
1-(5-Bromo-1,3-thiazol-2-yl)-3-fluoropropan-2-ol
CID 179067664
3-(5-Bromo-1,3-thiazol-2-yl)-1,1-difluoropropan-2-ol
CID 179067877

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)ethanol (CID 66222830) is 1-(5-bromo-1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)ethanol is CC(O)c1ncc(Br)s1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)ethanol?
The InChIKey is BJNWDFBORWABQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNOS/c1-3(8)5-7-2-4(6)9-5/h2-3,8H,1H3.
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)ethanol?
1-(5-bromo-1,3-thiazol-2-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-(5-bromo-1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 66222830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).