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

C6H10NOS+ — CID 68591442

IUPAC3-(1-methoxyethyl)-1,3-thiazol-3-ium
SMILESCOC(C)[n+]1ccsc1
InChIInChI=1S/C6H10NOS/c1-6(8-2)7-3-4-9-5-7/h3-6H,1-2H3/q+1
InChIKeySVXKCNBLRPACKD-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.20
Rot. Bonds2

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

3-(1-methoxyethyl)-1,3-thiazol-3-ium (PubChem CID 68591442) has the molecular formula C6H10NOS+ and a molecular weight of 144.22 g/mol. Its IUPAC name is 3-(1-methoxyethyl)-1,3-thiazol-3-ium.

Molecular Properties

Compound Name3-(1-methoxyethyl)-1,3-thiazol-3-ium
PubChem CID68591442
Molecular FormulaC6H10NOS+
Molecular Weight144.22 g/mol
Exact Mass144.05
IUPAC Name3-(1-methoxyethyl)-1,3-thiazol-3-ium
SMILESCOC(C)[n+]1ccsc1
InChIInChI=1S/C6H10NOS/c1-6(8-2)7-3-4-9-5-7/h3-6H,1-2H3/q+1
InChIKeySVXKCNBLRPACKD-UHFFFAOYSA-N
XLogP1.20
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(1-methoxyethyl)-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-(1-methoxyethyl)-1,3-thiazol-3-ium?
The IUPAC name of 3-(1-methoxyethyl)-1,3-thiazol-3-ium (CID 68591442) is 3-(1-methoxyethyl)-1,3-thiazol-3-ium.
What is the SMILES notation for 3-(1-methoxyethyl)-1,3-thiazol-3-ium?
The canonical SMILES for 3-(1-methoxyethyl)-1,3-thiazol-3-ium is COC(C)[n+]1ccsc1.
What is the InChIKey of 3-(1-methoxyethyl)-1,3-thiazol-3-ium?
The InChIKey is SVXKCNBLRPACKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NOS/c1-6(8-2)7-3-4-9-5-7/h3-6H,1-2H3/q+1.
What are the key properties of 3-(1-methoxyethyl)-1,3-thiazol-3-ium?
3-(1-methoxyethyl)-1,3-thiazol-3-ium has a molecular weight of 144.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethyl)-1,3-thiazol-3-ium is sourced from PubChem (CID 68591442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).