3-(methoxymethyl)-1,3-thiazol-3-ium

C5H8NOS+ — CID 68590303

IUPAC3-(methoxymethyl)-1,3-thiazol-3-ium
SMILESCOC[n+]1ccsc1
InChIInChI=1S/C5H8NOS/c1-7-4-6-2-3-8-5-6/h2-3,5H,4H2,1H3/q+1
InChIKeyJUBZHQSIOJQXKH-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.64
Rot. Bonds2

About 3-(methoxymethyl)-1,3-thiazol-3-ium

3-(methoxymethyl)-1,3-thiazol-3-ium (PubChem CID 68590303) has the molecular formula C5H8NOS+ and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-(methoxymethyl)-1,3-thiazol-3-ium.

Molecular Properties

Compound Name3-(methoxymethyl)-1,3-thiazol-3-ium
PubChem CID68590303
Molecular FormulaC5H8NOS+
Molecular Weight130.19 g/mol
Exact Mass130.03
IUPAC Name3-(methoxymethyl)-1,3-thiazol-3-ium
SMILESCOC[n+]1ccsc1
InChIInChI=1S/C5H8NOS/c1-7-4-6-2-3-8-5-6/h2-3,5H,4H2,1H3/q+1
InChIKeyJUBZHQSIOJQXKH-UHFFFAOYSA-N
XLogP0.64
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(methoxymethyl)-1,3-thiazol-3-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1,3-thiazol-3-ium?
The IUPAC name of 3-(methoxymethyl)-1,3-thiazol-3-ium (CID 68590303) is 3-(methoxymethyl)-1,3-thiazol-3-ium.
What is the SMILES notation for 3-(methoxymethyl)-1,3-thiazol-3-ium?
The canonical SMILES for 3-(methoxymethyl)-1,3-thiazol-3-ium is COC[n+]1ccsc1.
What is the InChIKey of 3-(methoxymethyl)-1,3-thiazol-3-ium?
The InChIKey is JUBZHQSIOJQXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NOS/c1-7-4-6-2-3-8-5-6/h2-3,5H,4H2,1H3/q+1.
What are the key properties of 3-(methoxymethyl)-1,3-thiazol-3-ium?
3-(methoxymethyl)-1,3-thiazol-3-ium has a molecular weight of 130.19 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1,3-thiazol-3-ium is sourced from PubChem (CID 68590303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).