3-tert-butyl-4-ethyl-5,5-dimethyl-1,3-thiazolidine

C11H23NS — CID 70876679

IUPAC3-tert-butyl-4-ethyl-5,5-dimethyl-1,3-thiazolidine
SMILESCCC1N(C(C)(C)C)CSC1(C)C
InChIInChI=1S/C11H23NS/c1-7-9-11(5,6)13-8-12(9)10(2,3)4/h9H,7-8H2,1-6H3
InChIKeyPYXMZVOHADTMCS-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.35
Rot. Bonds1

About 3-tert-butyl-4-ethyl-5,5-dimethyl-1,3-thiazolidine

3-tert-butyl-4-ethyl-5,5-dimethyl-1,3-thiazolidine (PubChem CID 70876679) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 3-tert-butyl-4-ethyl-5,5-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-tert-butyl-4-ethyl-5,5-dimethyl-1,3-thiazolidine
PubChem CID70876679
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name3-tert-butyl-4-ethyl-5,5-dimethyl-1,3-thiazolidine
SMILESCCC1N(C(C)(C)C)CSC1(C)C
InChIInChI=1S/C11H23NS/c1-7-9-11(5,6)13-8-12(9)10(2,3)4/h9H,7-8H2,1-6H3
InChIKeyPYXMZVOHADTMCS-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-tert-butyl-4-ethyl-5,5-dimethyl-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-tert-butyl-4-ethyl-5,5-dimethyl-1,3-thiazolidine?
The IUPAC name of 3-tert-butyl-4-ethyl-5,5-dimethyl-1,3-thiazolidine (CID 70876679) is 3-tert-butyl-4-ethyl-5,5-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 3-tert-butyl-4-ethyl-5,5-dimethyl-1,3-thiazolidine?
The canonical SMILES for 3-tert-butyl-4-ethyl-5,5-dimethyl-1,3-thiazolidine is CCC1N(C(C)(C)C)CSC1(C)C.
What is the InChIKey of 3-tert-butyl-4-ethyl-5,5-dimethyl-1,3-thiazolidine?
The InChIKey is PYXMZVOHADTMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-7-9-11(5,6)13-8-12(9)10(2,3)4/h9H,7-8H2,1-6H3.
What are the key properties of 3-tert-butyl-4-ethyl-5,5-dimethyl-1,3-thiazolidine?
3-tert-butyl-4-ethyl-5,5-dimethyl-1,3-thiazolidine has a molecular weight of 201.38 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-4-ethyl-5,5-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 70876679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).