3-(2-methoxyethyl)-1,3-thiazol-3-ium

C6H10NOS+ — CID 66974025

IUPAC3-(2-methoxyethyl)-1,3-thiazol-3-ium
SMILESCOCC[n+]1ccsc1
InChIInChI=1S/C6H10NOS/c1-8-4-2-7-3-5-9-6-7/h3,5-6H,2,4H2,1H3/q+1
InChIKeyHYXZJPNQRZBBPP-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.68
Rot. Bonds3

About 3-(2-methoxyethyl)-1,3-thiazol-3-ium

3-(2-methoxyethyl)-1,3-thiazol-3-ium (PubChem CID 66974025) has the molecular formula C6H10NOS+ and a molecular weight of 144.22 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1,3-thiazol-3-ium.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1,3-thiazol-3-ium
PubChem CID66974025
Molecular FormulaC6H10NOS+
Molecular Weight144.22 g/mol
Exact Mass144.05
IUPAC Name3-(2-methoxyethyl)-1,3-thiazol-3-ium
SMILESCOCC[n+]1ccsc1
InChIInChI=1S/C6H10NOS/c1-8-4-2-7-3-5-9-6-7/h3,5-6H,2,4H2,1H3/q+1
InChIKeyHYXZJPNQRZBBPP-UHFFFAOYSA-N
XLogP0.68
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1,3-thiazol-3-ium?
The IUPAC name of 3-(2-methoxyethyl)-1,3-thiazol-3-ium (CID 66974025) is 3-(2-methoxyethyl)-1,3-thiazol-3-ium.
What is the SMILES notation for 3-(2-methoxyethyl)-1,3-thiazol-3-ium?
The canonical SMILES for 3-(2-methoxyethyl)-1,3-thiazol-3-ium is COCC[n+]1ccsc1.
What is the InChIKey of 3-(2-methoxyethyl)-1,3-thiazol-3-ium?
The InChIKey is HYXZJPNQRZBBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NOS/c1-8-4-2-7-3-5-9-6-7/h3,5-6H,2,4H2,1H3/q+1.
What are the key properties of 3-(2-methoxyethyl)-1,3-thiazol-3-ium?
3-(2-methoxyethyl)-1,3-thiazol-3-ium has a molecular weight of 144.22 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1,3-thiazol-3-ium is sourced from PubChem (CID 66974025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).