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

C7H14NS+ — CID 59886698

IUPAC2,3,4,5-tetramethyl-4,5-dihydro-1,3-thiazol-3-ium
SMILESCC1=[N+](C)C(C)C(C)S1
InChIInChI=1S/C7H14NS/c1-5-6(2)9-7(3)8(5)4/h5-6H,1-4H3/q+1
InChIKeyYPBQZQFCRNWIFH-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.57
Rot. Bonds

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

2,3,4,5-tetramethyl-4,5-dihydro-1,3-thiazol-3-ium (PubChem CID 59886698) has the molecular formula C7H14NS+ and a molecular weight of 144.26 g/mol. Its IUPAC name is 2,3,4,5-tetramethyl-4,5-dihydro-1,3-thiazol-3-ium.

Molecular Properties

Compound Name2,3,4,5-tetramethyl-4,5-dihydro-1,3-thiazol-3-ium
PubChem CID59886698
Molecular FormulaC7H14NS+
Molecular Weight144.26 g/mol
Exact Mass144.08
IUPAC Name2,3,4,5-tetramethyl-4,5-dihydro-1,3-thiazol-3-ium
SMILESCC1=[N+](C)C(C)C(C)S1
InChIInChI=1S/C7H14NS/c1-5-6(2)9-7(3)8(5)4/h5-6H,1-4H3/q+1
InChIKeyYPBQZQFCRNWIFH-UHFFFAOYSA-N
XLogP1.57
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,4,5-tetramethyl-4,5-dihydro-1,3-thiazol-3-ium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetramethyl-4,5-dihydro-1,3-thiazol-3-ium?
The IUPAC name of 2,3,4,5-tetramethyl-4,5-dihydro-1,3-thiazol-3-ium (CID 59886698) is 2,3,4,5-tetramethyl-4,5-dihydro-1,3-thiazol-3-ium.
What is the SMILES notation for 2,3,4,5-tetramethyl-4,5-dihydro-1,3-thiazol-3-ium?
The canonical SMILES for 2,3,4,5-tetramethyl-4,5-dihydro-1,3-thiazol-3-ium is CC1=[N+](C)C(C)C(C)S1.
What is the InChIKey of 2,3,4,5-tetramethyl-4,5-dihydro-1,3-thiazol-3-ium?
The InChIKey is YPBQZQFCRNWIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NS/c1-5-6(2)9-7(3)8(5)4/h5-6H,1-4H3/q+1.
What are the key properties of 2,3,4,5-tetramethyl-4,5-dihydro-1,3-thiazol-3-ium?
2,3,4,5-tetramethyl-4,5-dihydro-1,3-thiazol-3-ium has a molecular weight of 144.26 g/mol, XLogP of 1.57, 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-4,5-dihydro-1,3-thiazol-3-ium is sourced from PubChem (CID 59886698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).