2-ethenyl-1,3-thiazolidine

C5H9NS — CID 90729878

IUPAC2-ethenyl-1,3-thiazolidine
SMILESC=CC1NCCS1
InChIInChI=1S/C5H9NS/c1-2-5-6-3-4-7-5/h2,5-6H,1,3-4H2
InChIKeyHHTHWWIEDYRLEQ-UHFFFAOYSA-N
MW115.20 g/mol
LogP0.83
Rot. Bonds1

About 2-ethenyl-1,3-thiazolidine

2-ethenyl-1,3-thiazolidine (PubChem CID 90729878) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 2-ethenyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-ethenyl-1,3-thiazolidine
PubChem CID90729878
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name2-ethenyl-1,3-thiazolidine
SMILESC=CC1NCCS1
InChIInChI=1S/C5H9NS/c1-2-5-6-3-4-7-5/h2,5-6H,1,3-4H2
InChIKeyHHTHWWIEDYRLEQ-UHFFFAOYSA-N
XLogP0.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 50.83
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 2-ethenyl-1,3-thiazolidine?
The IUPAC name of 2-ethenyl-1,3-thiazolidine (CID 90729878) is 2-ethenyl-1,3-thiazolidine.
What is the SMILES notation for 2-ethenyl-1,3-thiazolidine?
The canonical SMILES for 2-ethenyl-1,3-thiazolidine is C=CC1NCCS1.
What is the InChIKey of 2-ethenyl-1,3-thiazolidine?
The InChIKey is HHTHWWIEDYRLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-2-5-6-3-4-7-5/h2,5-6H,1,3-4H2.
What are the key properties of 2-ethenyl-1,3-thiazolidine?
2-ethenyl-1,3-thiazolidine has a molecular weight of 115.20 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,3-thiazolidine is sourced from PubChem (CID 90729878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).