2,3,4,5-tetramethyl-1,3-thiazol-3-ium

C7H12NS+ — CID 10562842

IUPAC2,3,4,5-tetramethyl-1,3-thiazol-3-ium
SMILESCc1sc(C)[n+](C)c1C
InChIInChI=1S/C7H12NS/c1-5-6(2)9-7(3)8(5)4/h1-4H3/q+1
InChIKeyFEOFOQRGSJQPMF-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.50
Rot. Bonds

About 2,3,4,5-tetramethyl-1,3-thiazol-3-ium

2,3,4,5-tetramethyl-1,3-thiazol-3-ium (PubChem CID 10562842) has the molecular formula C7H12NS+ and a molecular weight of 142.25 g/mol. Its IUPAC name is 2,3,4,5-tetramethyl-1,3-thiazol-3-ium.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-1,3-thiazol-3-ium
PubChem CID10562842
Molecular FormulaC7H12NS+
Molecular Weight142.25 g/mol
Exact Mass142.07
IUPAC Name2,3,4,5-tetramethyl-1,3-thiazol-3-ium
SMILESCc1sc(C)[n+](C)c1C
InChIInChI=1S/C7H12NS/c1-5-6(2)9-7(3)8(5)4/h1-4H3/q+1
InChIKeyFEOFOQRGSJQPMF-UHFFFAOYSA-N
XLogP1.50
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.50
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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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyl-1,3-thiazol-3-ium?
The IUPAC name of 2,3,4,5-tetramethyl-1,3-thiazol-3-ium (CID 10562842) is 2,3,4,5-tetramethyl-1,3-thiazol-3-ium.
What is the SMILES notation for 2,3,4,5-tetramethyl-1,3-thiazol-3-ium?
The canonical SMILES for 2,3,4,5-tetramethyl-1,3-thiazol-3-ium is Cc1sc(C)[n+](C)c1C.
What is the InChIKey of 2,3,4,5-tetramethyl-1,3-thiazol-3-ium?
The InChIKey is FEOFOQRGSJQPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NS/c1-5-6(2)9-7(3)8(5)4/h1-4H3/q+1.
What are the key properties of 2,3,4,5-tetramethyl-1,3-thiazol-3-ium?
2,3,4,5-tetramethyl-1,3-thiazol-3-ium has a molecular weight of 142.25 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetramethyl-1,3-thiazol-3-ium is sourced from PubChem (CID 10562842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).