1-(methoxymethyl)-2,4,5-trimethyl-1,3-thiazol-1-ium

C8H14NOS+ — CID 91543819

IUPAC1-(methoxymethyl)-2,4,5-trimethyl-1,3-thiazol-1-ium
SMILESCOC[s+]1c(C)nc(C)c1C
InChIInChI=1S/C8H14NOS/c1-6-7(2)11(5-10-4)8(3)9-6/h5H2,1-4H3/q+1
InChIKeyHNUHWIPIJIQNAQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.36
Rot. Bonds2

About 1-(methoxymethyl)-2,4,5-trimethyl-1,3-thiazol-1-ium

1-(methoxymethyl)-2,4,5-trimethyl-1,3-thiazol-1-ium (PubChem CID 91543819) has the molecular formula C8H14NOS+ and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(methoxymethyl)-2,4,5-trimethyl-1,3-thiazol-1-ium.

Molecular Properties

Compound Name1-(methoxymethyl)-2,4,5-trimethyl-1,3-thiazol-1-ium
PubChem CID91543819
Molecular FormulaC8H14NOS+
Molecular Weight172.27 g/mol
Exact Mass172.08
IUPAC Name1-(methoxymethyl)-2,4,5-trimethyl-1,3-thiazol-1-ium
SMILESCOC[s+]1c(C)nc(C)c1C
InChIInChI=1S/C8H14NOS/c1-6-7(2)11(5-10-4)8(3)9-6/h5H2,1-4H3/q+1
InChIKeyHNUHWIPIJIQNAQ-UHFFFAOYSA-N
XLogP2.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-2,4,5-trimethyl-1,3-thiazol-1-ium?
The IUPAC name of 1-(methoxymethyl)-2,4,5-trimethyl-1,3-thiazol-1-ium (CID 91543819) is 1-(methoxymethyl)-2,4,5-trimethyl-1,3-thiazol-1-ium.
What is the SMILES notation for 1-(methoxymethyl)-2,4,5-trimethyl-1,3-thiazol-1-ium?
The canonical SMILES for 1-(methoxymethyl)-2,4,5-trimethyl-1,3-thiazol-1-ium is COC[s+]1c(C)nc(C)c1C.
What is the InChIKey of 1-(methoxymethyl)-2,4,5-trimethyl-1,3-thiazol-1-ium?
The InChIKey is HNUHWIPIJIQNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NOS/c1-6-7(2)11(5-10-4)8(3)9-6/h5H2,1-4H3/q+1.
What are the key properties of 1-(methoxymethyl)-2,4,5-trimethyl-1,3-thiazol-1-ium?
1-(methoxymethyl)-2,4,5-trimethyl-1,3-thiazol-1-ium has a molecular weight of 172.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-2,4,5-trimethyl-1,3-thiazol-1-ium is sourced from PubChem (CID 91543819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).