5-methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium

C7H10NS+ — CID 18432223

IUPAC5-methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium
SMILESC#CC[N+]1=CSC(C)C1
InChIInChI=1S/C7H10NS/c1-3-4-8-5-7(2)9-6-8/h1,6-7H,4-5H2,2H3/q+1
InChIKeyUAZFJDTWESPHAW-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.80
Rot. Bonds1

About 5-methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium

5-methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium (PubChem CID 18432223) has the molecular formula C7H10NS+ and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium.

Molecular Properties

Compound Name5-methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium
PubChem CID18432223
Molecular FormulaC7H10NS+
Molecular Weight140.23 g/mol
Exact Mass140.05
IUPAC Name5-methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium
SMILESC#CC[N+]1=CSC(C)C1
InChIInChI=1S/C7H10NS/c1-3-4-8-5-7(2)9-6-8/h1,6-7H,4-5H2,2H3/q+1
InChIKeyUAZFJDTWESPHAW-UHFFFAOYSA-N
XLogP0.80
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methyl-3-prop-2-ynyl-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 5-methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium?
The IUPAC name of 5-methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium (CID 18432223) is 5-methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium.
What is the SMILES notation for 5-methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium?
The canonical SMILES for 5-methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium is C#CC[N+]1=CSC(C)C1.
What is the InChIKey of 5-methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium?
The InChIKey is UAZFJDTWESPHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NS/c1-3-4-8-5-7(2)9-6-8/h1,6-7H,4-5H2,2H3/q+1.
What are the key properties of 5-methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium?
5-methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium has a molecular weight of 140.23 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-prop-2-ynyl-4,5-dihydro-1,3-thiazol-3-ium is sourced from PubChem (CID 18432223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).