2-(3-ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol

C8H14NOS+ — CID 54119608

IUPAC2-(3-ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol
SMILESCC[n+]1cc(CCO)sc1C
InChIInChI=1S/C8H14NOS/c1-3-9-6-8(4-5-10)11-7(9)2/h6,10H,3-5H2,1-2H3/q+1
InChIKeyNMSKAQHFKURYPD-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.90
Rot. Bonds3

About 2-(3-ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol

2-(3-ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol (PubChem CID 54119608) has the molecular formula C8H14NOS+ and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-(3-ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol
PubChem CID54119608
Molecular FormulaC8H14NOS+
Molecular Weight172.27 g/mol
Exact Mass172.08
IUPAC Name2-(3-ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol
SMILESCC[n+]1cc(CCO)sc1C
InChIInChI=1S/C8H14NOS/c1-3-9-6-8(4-5-10)11-7(9)2/h6,10H,3-5H2,1-2H3/q+1
InChIKeyNMSKAQHFKURYPD-UHFFFAOYSA-N
XLogP0.90
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-Thiazol-5-yl)ethan-1-ol
CID 11389596
2-(2-Methyl-thiazol-5-yl)-ethanol
CID 529638
[5-(Propan-2-yl)-1,3-thiazol-2-yl]methanol
CID 45096028
2-(2-Bromo-1,3-thiazol-5-yl)ethan-1-ol
CID 68557594
(5-Ethyl-1,3-thiazol-2-yl)methanol
CID 62924313
2-(2-Chloro-1,3-thiazol-5-yl)ethan-1-ol
CID 71721295
5-(2,2-Dimethoxyethyl)-2-methyl-1,3-thiazole
CID 138987761
5-(2-Methoxyethyl)-2-(trifluoromethyl)-1,3-thiazole
CID 66911472
[5-(1-Fluoroethyl)-1,3-thiazol-2-yl]methanol
CID 166089803
2-(5-Methyl-2-thiazolyl)ethanol
CID 83390527
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol?
The IUPAC name of 2-(3-ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol (CID 54119608) is 2-(3-ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol.
What is the SMILES notation for 2-(3-ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol?
The canonical SMILES for 2-(3-ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol is CC[n+]1cc(CCO)sc1C.
What is the InChIKey of 2-(3-ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol?
The InChIKey is NMSKAQHFKURYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NOS/c1-3-9-6-8(4-5-10)11-7(9)2/h6,10H,3-5H2,1-2H3/q+1.
What are the key properties of 2-(3-ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol?
2-(3-ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol has a molecular weight of 172.27 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-methyl-1,3-thiazol-3-ium-5-yl)ethanol is sourced from PubChem (CID 54119608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).