(3,5-dimethyl-1,3-thiazolidin-2-ylidene)-dimethylazanium

C7H15N2S+ — CID 12718861

IUPAC(3,5-dimethyl-1,3-thiazolidin-2-ylidene)-dimethylazanium
SMILESCC1CN(C)C(=[N+](C)C)S1
InChIInChI=1S/C7H15N2S/c1-6-5-9(4)7(10-6)8(2)3/h6H,5H2,1-4H3/q+1
InChIKeyJTULDGHVRAOLNT-UHFFFAOYSA-N
MW159.28 g/mol
LogP0.68
Rot. Bonds

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

(3,5-dimethyl-1,3-thiazolidin-2-ylidene)-dimethylazanium (PubChem CID 12718861) has the molecular formula C7H15N2S+ and a molecular weight of 159.28 g/mol. Its IUPAC name is (3,5-dimethyl-1,3-thiazolidin-2-ylidene)-dimethylazanium.

Molecular Properties

Compound Name(3,5-dimethyl-1,3-thiazolidin-2-ylidene)-dimethylazanium
PubChem CID12718861
Molecular FormulaC7H15N2S+
Molecular Weight159.28 g/mol
Exact Mass159.10
IUPAC Name(3,5-dimethyl-1,3-thiazolidin-2-ylidene)-dimethylazanium
SMILESCC1CN(C)C(=[N+](C)C)S1
InChIInChI=1S/C7H15N2S/c1-6-5-9(4)7(10-6)8(2)3/h6H,5H2,1-4H3/q+1
InChIKeyJTULDGHVRAOLNT-UHFFFAOYSA-N
XLogP0.68
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 50.68
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 (3,5-dimethyl-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 (3,5-dimethyl-1,3-thiazolidin-2-ylidene)-dimethylazanium?
The IUPAC name of (3,5-dimethyl-1,3-thiazolidin-2-ylidene)-dimethylazanium (CID 12718861) is (3,5-dimethyl-1,3-thiazolidin-2-ylidene)-dimethylazanium.
What is the SMILES notation for (3,5-dimethyl-1,3-thiazolidin-2-ylidene)-dimethylazanium?
The canonical SMILES for (3,5-dimethyl-1,3-thiazolidin-2-ylidene)-dimethylazanium is CC1CN(C)C(=[N+](C)C)S1.
What is the InChIKey of (3,5-dimethyl-1,3-thiazolidin-2-ylidene)-dimethylazanium?
The InChIKey is JTULDGHVRAOLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2S/c1-6-5-9(4)7(10-6)8(2)3/h6H,5H2,1-4H3/q+1.
What are the key properties of (3,5-dimethyl-1,3-thiazolidin-2-ylidene)-dimethylazanium?
(3,5-dimethyl-1,3-thiazolidin-2-ylidene)-dimethylazanium has a molecular weight of 159.28 g/mol, XLogP of 0.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,3-thiazolidin-2-ylidene)-dimethylazanium is sourced from PubChem (CID 12718861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).