2,4-dimethyl-1,2-thiazolidine

C5H11NS — CID 138705913

IUPAC2,4-dimethyl-1,2-thiazolidine
SMILESCC1CSN(C)C1
InChIInChI=1S/C5H11NS/c1-5-3-6(2)7-4-5/h5H,3-4H2,1-2H3
InChIKeyKFWKXPSTTMYMKQ-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.22
Rot. Bonds

About 2,4-dimethyl-1,2-thiazolidine

2,4-dimethyl-1,2-thiazolidine (PubChem CID 138705913) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 2,4-dimethyl-1,2-thiazolidine.

Molecular Properties

Compound Name2,4-dimethyl-1,2-thiazolidine
PubChem CID138705913
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name2,4-dimethyl-1,2-thiazolidine
SMILESCC1CSN(C)C1
InChIInChI=1S/C5H11NS/c1-5-3-6(2)7-4-5/h5H,3-4H2,1-2H3
InChIKeyKFWKXPSTTMYMKQ-UHFFFAOYSA-N
XLogP1.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,2-thiazolidine?
The IUPAC name of 2,4-dimethyl-1,2-thiazolidine (CID 138705913) is 2,4-dimethyl-1,2-thiazolidine.
What is the SMILES notation for 2,4-dimethyl-1,2-thiazolidine?
The canonical SMILES for 2,4-dimethyl-1,2-thiazolidine is CC1CSN(C)C1.
What is the InChIKey of 2,4-dimethyl-1,2-thiazolidine?
The InChIKey is KFWKXPSTTMYMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-5-3-6(2)7-4-5/h5H,3-4H2,1-2H3.
What are the key properties of 2,4-dimethyl-1,2-thiazolidine?
2,4-dimethyl-1,2-thiazolidine has a molecular weight of 117.22 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,2-thiazolidine is sourced from PubChem (CID 138705913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).