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

C5H6ClNOS — CID 71721295

IUPAC2-(2-chloro-1,3-thiazol-5-yl)ethanol
SMILESOCCc1cnc(Cl)s1
InChIInChI=1S/C5H6ClNOS/c6-5-7-3-4(9-5)1-2-8/h3,8H,1-2H2
InChIKeyDJNRCFHUEKWBTM-UHFFFAOYSA-N
MW163.63 g/mol
LogP1.33
Rot. Bonds2

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

2-(2-chloro-1,3-thiazol-5-yl)ethanol (PubChem CID 71721295) has the molecular formula C5H6ClNOS and a molecular weight of 163.63 g/mol. Its IUPAC name is 2-(2-chloro-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-1,3-thiazol-5-yl)ethanol
PubChem CID71721295
Molecular FormulaC5H6ClNOS
Molecular Weight163.63 g/mol
Exact Mass162.99
IUPAC Name2-(2-chloro-1,3-thiazol-5-yl)ethanol
SMILESOCCc1cnc(Cl)s1
InChIInChI=1S/C5H6ClNOS/c6-5-7-3-4(9-5)1-2-8/h3,8H,1-2H2
InChIKeyDJNRCFHUEKWBTM-UHFFFAOYSA-N
XLogP1.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.63
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-Thiazol-5-yl)ethan-1-ol
CID 11389596
2-(2-Amino-1,3-thiazol-5-yl)ethan-1-ol
CID 13637184
2-(2-Methyl-thiazol-5-yl)-ethanol
CID 529638
(1R)-1-(1,3-thiazol-5-yl)ethan-1-ol
CID 54594041
2-(2-Bromo-1,3-thiazol-5-yl)ethan-1-ol
CID 68557594
1-(2-Chloro-thiazol-5-yl)-ethanol
CID 68056647
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-chloro-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-(2-chloro-1,3-thiazol-5-yl)ethanol (CID 71721295) is 2-(2-chloro-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(2-chloro-1,3-thiazol-5-yl)ethanol is OCCc1cnc(Cl)s1.
What is the InChIKey of 2-(2-chloro-1,3-thiazol-5-yl)ethanol?
The InChIKey is DJNRCFHUEKWBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNOS/c6-5-7-3-4(9-5)1-2-8/h3,8H,1-2H2.
What are the key properties of 2-(2-chloro-1,3-thiazol-5-yl)ethanol?
2-(2-chloro-1,3-thiazol-5-yl)ethanol has a molecular weight of 163.63 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 71721295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).