3,4-dimethyl-1-methylidene-1,3-thiazolidine

C6H13NS — CID 22094366

IUPAC3,4-dimethyl-1-methylidene-1,3-thiazolidine
SMILESC=S1CC(C)N(C)C1
InChIInChI=1S/C6H13NS/c1-6-4-8(3)5-7(6)2/h6H,3-5H2,1-2H3
InChIKeyPRNTYQBXJQUORK-UHFFFAOYSA-N
MW131.24 g/mol
LogP0.98
Rot. Bonds

About 3,4-dimethyl-1-methylidene-1,3-thiazolidine

3,4-dimethyl-1-methylidene-1,3-thiazolidine (PubChem CID 22094366) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 3,4-dimethyl-1-methylidene-1,3-thiazolidine.

Molecular Properties

Compound Name3,4-dimethyl-1-methylidene-1,3-thiazolidine
PubChem CID22094366
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name3,4-dimethyl-1-methylidene-1,3-thiazolidine
SMILESC=S1CC(C)N(C)C1
InChIInChI=1S/C6H13NS/c1-6-4-8(3)5-7(6)2/h6H,3-5H2,1-2H3
InChIKeyPRNTYQBXJQUORK-UHFFFAOYSA-N
XLogP0.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-dimethyl-1-methylidene-1,3-thiazolidine 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 3,4-dimethyl-1-methylidene-1,3-thiazolidine?
The IUPAC name of 3,4-dimethyl-1-methylidene-1,3-thiazolidine (CID 22094366) is 3,4-dimethyl-1-methylidene-1,3-thiazolidine.
What is the SMILES notation for 3,4-dimethyl-1-methylidene-1,3-thiazolidine?
The canonical SMILES for 3,4-dimethyl-1-methylidene-1,3-thiazolidine is C=S1CC(C)N(C)C1.
What is the InChIKey of 3,4-dimethyl-1-methylidene-1,3-thiazolidine?
The InChIKey is PRNTYQBXJQUORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-6-4-8(3)5-7(6)2/h6H,3-5H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-methylidene-1,3-thiazolidine?
3,4-dimethyl-1-methylidene-1,3-thiazolidine has a molecular weight of 131.24 g/mol, XLogP of 0.98, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-methylidene-1,3-thiazolidine is sourced from PubChem (CID 22094366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).