2-ethoxy-3-methyl-1,3-thiazol-3-ium

C6H10NOS+ — CID 68943821

IUPAC2-ethoxy-3-methyl-1,3-thiazol-3-ium
SMILESCCOc1scc[n+]1C
InChIInChI=1S/C6H10NOS/c1-3-8-6-7(2)4-5-9-6/h4-5H,3H2,1-2H3/q+1
InChIKeyVSWXBAPLHBCKAQ-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.97
Rot. Bonds2

About 2-ethoxy-3-methyl-1,3-thiazol-3-ium

2-ethoxy-3-methyl-1,3-thiazol-3-ium (PubChem CID 68943821) has the molecular formula C6H10NOS+ and a molecular weight of 144.22 g/mol. Its IUPAC name is 2-ethoxy-3-methyl-1,3-thiazol-3-ium.

Molecular Properties

Compound Name2-ethoxy-3-methyl-1,3-thiazol-3-ium
PubChem CID68943821
Molecular FormulaC6H10NOS+
Molecular Weight144.22 g/mol
Exact Mass144.05
IUPAC Name2-ethoxy-3-methyl-1,3-thiazol-3-ium
SMILESCCOc1scc[n+]1C
InChIInChI=1S/C6H10NOS/c1-3-8-6-7(2)4-5-9-6/h4-5H,3H2,1-2H3/q+1
InChIKeyVSWXBAPLHBCKAQ-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
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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Related Compounds

2-Ethoxythiazole
CID 61809
2-Methoxythiazole
CID 575451
3-Methylthiazolium ion
CID 422254
(2R)-N,N-dimethyl-4-(1,3-thiazol-2-yloxy)butan-2-amine
CID 71716730
3-Methyl-1,3-thiazol-3-ium iodide
CID 13001651
Dimethyl-[2-(thiazol-2-ylsulfanyl)-ethyl]-amine
CID 44374226
2-Bromo-3-methyl-1,3-thiazol-3-ium
CID 10377832
2,3-Dimethyl-1,3-thiazol-3-ium iodide
CID 12367518
2-Butoxy-1,3-thiazole
CID 22406947
Tetrafluoroethoxythiazole
CID 129874405
3-Ethyl-2-methyl-1,3-thiazol-3-ium;ethyl sulfate
CID 10777269
2-(Trimethylstannyl)-1,3-thiazole
CID 12956641

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-methyl-1,3-thiazol-3-ium?
The IUPAC name of 2-ethoxy-3-methyl-1,3-thiazol-3-ium (CID 68943821) is 2-ethoxy-3-methyl-1,3-thiazol-3-ium.
What is the SMILES notation for 2-ethoxy-3-methyl-1,3-thiazol-3-ium?
The canonical SMILES for 2-ethoxy-3-methyl-1,3-thiazol-3-ium is CCOc1scc[n+]1C.
What is the InChIKey of 2-ethoxy-3-methyl-1,3-thiazol-3-ium?
The InChIKey is VSWXBAPLHBCKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NOS/c1-3-8-6-7(2)4-5-9-6/h4-5H,3H2,1-2H3/q+1.
What are the key properties of 2-ethoxy-3-methyl-1,3-thiazol-3-ium?
2-ethoxy-3-methyl-1,3-thiazol-3-ium has a molecular weight of 144.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-methyl-1,3-thiazol-3-ium is sourced from PubChem (CID 68943821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).