2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride

C6H12ClNOS — CID 141259282

IUPAC2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride
SMILESCC1=CSCN1CCO.Cl
InChIInChI=1S/C6H11NOS.ClH/c1-6-4-9-5-7(6)2-3-8;/h4,8H,2-3,5H2,1H3;1H
InChIKeyKCZIBSMNHVLMRB-UHFFFAOYSA-N
MW181.69 g/mol
LogP1.27
Rot. Bonds2

About 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride

2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride (PubChem CID 141259282) has the molecular formula C6H12ClNOS and a molecular weight of 181.69 g/mol. Its IUPAC name is 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride
PubChem CID141259282
Molecular FormulaC6H12ClNOS
Molecular Weight181.69 g/mol
Exact Mass181.03
IUPAC Name2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride
SMILESCC1=CSCN1CCO.Cl
InChIInChI=1S/C6H11NOS.ClH/c1-6-4-9-5-7(6)2-3-8;/h4,8H,2-3,5H2,1H3;1H
InChIKeyKCZIBSMNHVLMRB-UHFFFAOYSA-N
XLogP1.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.69
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride?
The IUPAC name of 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride (CID 141259282) is 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride?
The canonical SMILES for 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride is CC1=CSCN1CCO.Cl.
What is the InChIKey of 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride?
The InChIKey is KCZIBSMNHVLMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS.ClH/c1-6-4-9-5-7(6)2-3-8;/h4,8H,2-3,5H2,1H3;1H.
What are the key properties of 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride?
2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride has a molecular weight of 181.69 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride is sourced from PubChem (CID 141259282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).