(3-ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium

C8H17N2S+ — CID 12718863

IUPAC(3-ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium
SMILESCCN1CC(C)SC1=[N+](C)C
InChIInChI=1S/C8H17N2S/c1-5-10-6-7(2)11-8(10)9(3)4/h7H,5-6H2,1-4H3/q+1
InChIKeyPLKNMVDJVKVPEB-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.07
Rot. Bonds1

About (3-ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium

(3-ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium (PubChem CID 12718863) has the molecular formula C8H17N2S+ and a molecular weight of 173.30 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium
PubChem CID12718863
Molecular FormulaC8H17N2S+
Molecular Weight173.30 g/mol
Exact Mass173.11
IUPAC Name(3-ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium
SMILESCCN1CC(C)SC1=[N+](C)C
InChIInChI=1S/C8H17N2S/c1-5-10-6-7(2)11-8(10)9(3)4/h7H,5-6H2,1-4H3/q+1
InChIKeyPLKNMVDJVKVPEB-UHFFFAOYSA-N
XLogP1.07
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (3-ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium 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 (3-ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium?
The IUPAC name of (3-ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium (CID 12718863) is (3-ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium.
What is the SMILES notation for (3-ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium?
The canonical SMILES for (3-ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium is CCN1CC(C)SC1=[N+](C)C.
What is the InChIKey of (3-ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium?
The InChIKey is PLKNMVDJVKVPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2S/c1-5-10-6-7(2)11-8(10)9(3)4/h7H,5-6H2,1-4H3/q+1.
What are the key properties of (3-ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium?
(3-ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium has a molecular weight of 173.30 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,3-thiazolidin-2-ylidene)-dimethylazanium is sourced from PubChem (CID 12718863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).