2,5,5-trimethyl-1,2-thiazolidine

C6H13NS — CID 89186839

IUPAC2,5,5-trimethyl-1,2-thiazolidine
SMILESCN1CCC(C)(C)S1
InChIInChI=1S/C6H13NS/c1-6(2)4-5-7(3)8-6/h4-5H2,1-3H3
InChIKeyDLWGIYJUEMNYMY-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.75
Rot. Bonds

About 2,5,5-trimethyl-1,2-thiazolidine

2,5,5-trimethyl-1,2-thiazolidine (PubChem CID 89186839) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 2,5,5-trimethyl-1,2-thiazolidine.

Molecular Properties

Compound Name2,5,5-trimethyl-1,2-thiazolidine
PubChem CID89186839
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name2,5,5-trimethyl-1,2-thiazolidine
SMILESCN1CCC(C)(C)S1
InChIInChI=1S/C6H13NS/c1-6(2)4-5-7(3)8-6/h4-5H2,1-3H3
InChIKeyDLWGIYJUEMNYMY-UHFFFAOYSA-N
XLogP1.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.75
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 2,5,5-trimethyl-1,2-thiazolidine?
The IUPAC name of 2,5,5-trimethyl-1,2-thiazolidine (CID 89186839) is 2,5,5-trimethyl-1,2-thiazolidine.
What is the SMILES notation for 2,5,5-trimethyl-1,2-thiazolidine?
The canonical SMILES for 2,5,5-trimethyl-1,2-thiazolidine is CN1CCC(C)(C)S1.
What is the InChIKey of 2,5,5-trimethyl-1,2-thiazolidine?
The InChIKey is DLWGIYJUEMNYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-6(2)4-5-7(3)8-6/h4-5H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-1,2-thiazolidine?
2,5,5-trimethyl-1,2-thiazolidine has a molecular weight of 131.24 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1,2-thiazolidine is sourced from PubChem (CID 89186839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).