1-ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium

C8H14NS+ — CID 91233520

IUPAC1-ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium
SMILESCC[s+]1c(C)nc(C)c1C
InChIInChI=1S/C8H14NS/c1-5-10-7(3)6(2)9-8(10)4/h5H2,1-4H3/q+1
InChIKeyYULVWTPESLEIOD-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.78
Rot. Bonds1

About 1-ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium

1-ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium (PubChem CID 91233520) has the molecular formula C8H14NS+ and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium.

Molecular Properties

Compound Name1-ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium
PubChem CID91233520
Molecular FormulaC8H14NS+
Molecular Weight156.27 g/mol
Exact Mass156.08
IUPAC Name1-ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium
SMILESCC[s+]1c(C)nc(C)c1C
InChIInChI=1S/C8H14NS/c1-5-10-7(3)6(2)9-8(10)4/h5H2,1-4H3/q+1
InChIKeyYULVWTPESLEIOD-UHFFFAOYSA-N
XLogP2.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium with MolForge

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

Launch Full Analysis

Related Compounds

2-Propan-2-yl-4-propan-2-ylidene-1,3-thiazole
CID 58926074
2,4,5-Trimethyl-1,1-dimethylidene-1,3-thiazole
CID 89005494
1-But-2-enyl-2,4,5-trimethyl-1,3-thiazol-1-ium
CID 90686965
1-Hexyl-2,4,5-trimethyl-1,3-thiazol-1-ium
CID 90736826
2,4,5-Trimethyl-1-propyl-1,3-thiazol-1-ium
CID 90898073
2,4,5-Trimethyl-1-prop-2-enyl-1,3-thiazol-1-ium
CID 90932149
2,4,5-Trimethyl-1-pentyl-1,3-thiazol-1-ium
CID 91425404
1-(Methoxymethyl)-2,4,5-trimethyl-1,3-thiazol-1-ium
CID 91543819
1-Butyl-2,4,5-trimethyl-1,3-thiazol-1-ium
CID 91552447
Ethane;2-methyl-4-methylidene-1,3-thiazole
CID 123577981
1-Ethyl-2,4-dimethyl-1,3-thiazol-1-ium
CID 172721207
carbanide;2,4-dimethyl-5H-1,3-thiazol-5-ide;ethane;rubidium(1+)
CID 176935666

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium?
The IUPAC name of 1-ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium (CID 91233520) is 1-ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium.
What is the SMILES notation for 1-ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium?
The canonical SMILES for 1-ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium is CC[s+]1c(C)nc(C)c1C.
What is the InChIKey of 1-ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium?
The InChIKey is YULVWTPESLEIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NS/c1-5-10-7(3)6(2)9-8(10)4/h5H2,1-4H3/q+1.
What are the key properties of 1-ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium?
1-ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium has a molecular weight of 156.27 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4,5-trimethyl-1,3-thiazol-1-ium is sourced from PubChem (CID 91233520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).