3-ethyl-4,5-dihydro-1,3-thiazol-3-ium

C5H10NS+ — CID 23504377

IUPAC3-ethyl-4,5-dihydro-1,3-thiazol-3-ium
SMILESCC[N+]1=CSCC1
InChIInChI=1S/C5H10NS/c1-2-6-3-4-7-5-6/h5H,2-4H2,1H3/q+1
InChIKeyIXELDZVBDZCYQP-UHFFFAOYSA-N
MW116.21 g/mol
LogP0.79
Rot. Bonds1

About 3-ethyl-4,5-dihydro-1,3-thiazol-3-ium

3-ethyl-4,5-dihydro-1,3-thiazol-3-ium (PubChem CID 23504377) has the molecular formula C5H10NS+ and a molecular weight of 116.21 g/mol. Its IUPAC name is 3-ethyl-4,5-dihydro-1,3-thiazol-3-ium.

Molecular Properties

Compound Name3-ethyl-4,5-dihydro-1,3-thiazol-3-ium
PubChem CID23504377
Molecular FormulaC5H10NS+
Molecular Weight116.21 g/mol
Exact Mass116.05
IUPAC Name3-ethyl-4,5-dihydro-1,3-thiazol-3-ium
SMILESCC[N+]1=CSCC1
InChIInChI=1S/C5H10NS/c1-2-6-3-4-7-5-6/h5H,2-4H2,1H3/q+1
InChIKeyIXELDZVBDZCYQP-UHFFFAOYSA-N
XLogP0.79
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.21
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Oblnpkkgvnwytk-uhfffaoysa-
CID 108617
3-Methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazol-3-ium
CID 207768
2-Methylmercapto-3-athylthiazoliniumjodid
CID 129636121
Ethylsulfanylmethylidene(dimethyl)azanium
CID 13403330
3-Ethyl-2-ethylsulfanyl-4,5-dihydro-1,3-thiazol-3-ium
CID 14093905
5-Methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium
CID 18432223
1,1-Dimethyl-4,5-dihydro-1,3-thiazole
CID 18721523
3-Propyl-4,5-dihydro-1,3-thiazol-3-ium
CID 19020679
3-Methyl-4,5-dihydro-1,3-thiazol-3-ium
CID 19826783
3-Butyl-4,5-dihydro-1,3-thiazol-3-ium
CID 57088448
3-Methyl-4,5-dihydro-1,3-thiazol-3-ium bromide
CID 69474188
3-Butyl-4,5-dihydro-1,3-thiazol-3-ium iodide
CID 70624169

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-dihydro-1,3-thiazol-3-ium?
The IUPAC name of 3-ethyl-4,5-dihydro-1,3-thiazol-3-ium (CID 23504377) is 3-ethyl-4,5-dihydro-1,3-thiazol-3-ium.
What is the SMILES notation for 3-ethyl-4,5-dihydro-1,3-thiazol-3-ium?
The canonical SMILES for 3-ethyl-4,5-dihydro-1,3-thiazol-3-ium is CC[N+]1=CSCC1.
What is the InChIKey of 3-ethyl-4,5-dihydro-1,3-thiazol-3-ium?
The InChIKey is IXELDZVBDZCYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NS/c1-2-6-3-4-7-5-6/h5H,2-4H2,1H3/q+1.
What are the key properties of 3-ethyl-4,5-dihydro-1,3-thiazol-3-ium?
3-ethyl-4,5-dihydro-1,3-thiazol-3-ium has a molecular weight of 116.21 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-dihydro-1,3-thiazol-3-ium is sourced from PubChem (CID 23504377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).