2,4,4-trimethyl-1,3-thiazolidine

C6H13NS — CID 23278395

IUPAC2,4,4-trimethyl-1,3-thiazolidine
SMILESCC1NC(C)(C)CS1
InChIInChI=1S/C6H13NS/c1-5-7-6(2,3)4-8-5/h5,7H,4H2,1-3H3
InChIKeySIPIEBBSBWEXSB-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.45
Rot. Bonds

About 2,4,4-trimethyl-1,3-thiazolidine

2,4,4-trimethyl-1,3-thiazolidine (PubChem CID 23278395) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 2,4,4-trimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name2,4,4-trimethyl-1,3-thiazolidine
PubChem CID23278395
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name2,4,4-trimethyl-1,3-thiazolidine
SMILESCC1NC(C)(C)CS1
InChIInChI=1S/C6H13NS/c1-5-7-6(2,3)4-8-5/h5,7H,4H2,1-3H3
InChIKeySIPIEBBSBWEXSB-UHFFFAOYSA-N
XLogP1.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4,4-trimethyl-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 2,4,4-trimethyl-1,3-thiazolidine?
The IUPAC name of 2,4,4-trimethyl-1,3-thiazolidine (CID 23278395) is 2,4,4-trimethyl-1,3-thiazolidine.
What is the SMILES notation for 2,4,4-trimethyl-1,3-thiazolidine?
The canonical SMILES for 2,4,4-trimethyl-1,3-thiazolidine is CC1NC(C)(C)CS1.
What is the InChIKey of 2,4,4-trimethyl-1,3-thiazolidine?
The InChIKey is SIPIEBBSBWEXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-5-7-6(2,3)4-8-5/h5,7H,4H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-1,3-thiazolidine?
2,4,4-trimethyl-1,3-thiazolidine has a molecular weight of 131.24 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1,3-thiazolidine is sourced from PubChem (CID 23278395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).