2-(2H-1,3-thiazol-3-yl)ethanol;hydrobromide

C5H10BrNOS — CID 173069862

IUPAC2-(2H-1,3-thiazol-3-yl)ethanol;hydrobromide
SMILESBr.OCCN1C=CSC1
InChIInChI=1S/C5H9NOS.BrH/c7-3-1-6-2-4-8-5-6;/h2,4,7H,1,3,5H2;1H
InChIKeyKARQYPSSAUTHNE-UHFFFAOYSA-N
MW212.11 g/mol
LogP1.03
Rot. Bonds2

About 2-(2H-1,3-thiazol-3-yl)ethanol;hydrobromide

2-(2H-1,3-thiazol-3-yl)ethanol;hydrobromide (PubChem CID 173069862) has the molecular formula C5H10BrNOS and a molecular weight of 212.11 g/mol. Its IUPAC name is 2-(2H-1,3-thiazol-3-yl)ethanol;hydrobromide.

Molecular Properties

Compound Name2-(2H-1,3-thiazol-3-yl)ethanol;hydrobromide
PubChem CID173069862
Molecular FormulaC5H10BrNOS
Molecular Weight212.11 g/mol
Exact Mass210.97
IUPAC Name2-(2H-1,3-thiazol-3-yl)ethanol;hydrobromide
SMILESBr.OCCN1C=CSC1
InChIInChI=1S/C5H9NOS.BrH/c7-3-1-6-2-4-8-5-6;/h2,4,7H,1,3,5H2;1H
InChIKeyKARQYPSSAUTHNE-UHFFFAOYSA-N
XLogP1.03
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.11
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-1,3-thiazol-3-yl)ethanol;hydrobromide?
The IUPAC name of 2-(2H-1,3-thiazol-3-yl)ethanol;hydrobromide (CID 173069862) is 2-(2H-1,3-thiazol-3-yl)ethanol;hydrobromide.
What is the SMILES notation for 2-(2H-1,3-thiazol-3-yl)ethanol;hydrobromide?
The canonical SMILES for 2-(2H-1,3-thiazol-3-yl)ethanol;hydrobromide is Br.OCCN1C=CSC1.
What is the InChIKey of 2-(2H-1,3-thiazol-3-yl)ethanol;hydrobromide?
The InChIKey is KARQYPSSAUTHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS.BrH/c7-3-1-6-2-4-8-5-6;/h2,4,7H,1,3,5H2;1H.
What are the key properties of 2-(2H-1,3-thiazol-3-yl)ethanol;hydrobromide?
2-(2H-1,3-thiazol-3-yl)ethanol;hydrobromide has a molecular weight of 212.11 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-1,3-thiazol-3-yl)ethanol;hydrobromide is sourced from PubChem (CID 173069862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).