2-tert-butyl-1,2-thiazolidine

C7H15NS — CID 13493126

IUPAC2-tert-butyl-1,2-thiazolidine
SMILESCC(C)(C)N1CCCS1
InChIInChI=1S/C7H15NS/c1-7(2,3)8-5-4-6-9-8/h4-6H2,1-3H3
InChIKeyVFOATJOLZLXLTO-UHFFFAOYSA-N
MW145.27 g/mol
LogP2.14
Rot. Bonds

About 2-tert-butyl-1,2-thiazolidine

2-tert-butyl-1,2-thiazolidine (PubChem CID 13493126) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 2-tert-butyl-1,2-thiazolidine.

Molecular Properties

Compound Name2-tert-butyl-1,2-thiazolidine
PubChem CID13493126
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name2-tert-butyl-1,2-thiazolidine
SMILESCC(C)(C)N1CCCS1
InChIInChI=1S/C7H15NS/c1-7(2,3)8-5-4-6-9-8/h4-6H2,1-3H3
InChIKeyVFOATJOLZLXLTO-UHFFFAOYSA-N
XLogP2.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.14
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-tert-butyl-1,2-thiazolidine?
The IUPAC name of 2-tert-butyl-1,2-thiazolidine (CID 13493126) is 2-tert-butyl-1,2-thiazolidine.
What is the SMILES notation for 2-tert-butyl-1,2-thiazolidine?
The canonical SMILES for 2-tert-butyl-1,2-thiazolidine is CC(C)(C)N1CCCS1.
What is the InChIKey of 2-tert-butyl-1,2-thiazolidine?
The InChIKey is VFOATJOLZLXLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-7(2,3)8-5-4-6-9-8/h4-6H2,1-3H3.
What are the key properties of 2-tert-butyl-1,2-thiazolidine?
2-tert-butyl-1,2-thiazolidine has a molecular weight of 145.27 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,2-thiazolidine is sourced from PubChem (CID 13493126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).