4-tert-butyl-2-ethenyl-1,3-thiazolidine

C9H17NS — CID 155472918

IUPAC4-tert-butyl-2-ethenyl-1,3-thiazolidine
SMILESC=CC1NC(C(C)(C)C)CS1
InChIInChI=1S/C9H17NS/c1-5-8-10-7(6-11-8)9(2,3)4/h5,7-8,10H,1,6H2,2-4H3
InChIKeyUEEQMNQIZJZRFY-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.25
Rot. Bonds1

About 4-tert-butyl-2-ethenyl-1,3-thiazolidine

4-tert-butyl-2-ethenyl-1,3-thiazolidine (PubChem CID 155472918) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4-tert-butyl-2-ethenyl-1,3-thiazolidine.

Molecular Properties

Compound Name4-tert-butyl-2-ethenyl-1,3-thiazolidine
PubChem CID155472918
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4-tert-butyl-2-ethenyl-1,3-thiazolidine
SMILESC=CC1NC(C(C)(C)C)CS1
InChIInChI=1S/C9H17NS/c1-5-8-10-7(6-11-8)9(2,3)4/h5,7-8,10H,1,6H2,2-4H3
InChIKeyUEEQMNQIZJZRFY-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-ethenyl-1,3-thiazolidine?
The IUPAC name of 4-tert-butyl-2-ethenyl-1,3-thiazolidine (CID 155472918) is 4-tert-butyl-2-ethenyl-1,3-thiazolidine.
What is the SMILES notation for 4-tert-butyl-2-ethenyl-1,3-thiazolidine?
The canonical SMILES for 4-tert-butyl-2-ethenyl-1,3-thiazolidine is C=CC1NC(C(C)(C)C)CS1.
What is the InChIKey of 4-tert-butyl-2-ethenyl-1,3-thiazolidine?
The InChIKey is UEEQMNQIZJZRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-5-8-10-7(6-11-8)9(2,3)4/h5,7-8,10H,1,6H2,2-4H3.
What are the key properties of 4-tert-butyl-2-ethenyl-1,3-thiazolidine?
4-tert-butyl-2-ethenyl-1,3-thiazolidine has a molecular weight of 171.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-ethenyl-1,3-thiazolidine is sourced from PubChem (CID 155472918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).