2-ethenyl-1,3-thiazolidine-4-carbonitrile

C6H8N2S — CID 21316392

IUPAC2-ethenyl-1,3-thiazolidine-4-carbonitrile
SMILESC=CC1NC(C#N)CS1
InChIInChI=1S/C6H8N2S/c1-2-6-8-5(3-7)4-9-6/h2,5-6,8H,1,4H2
InChIKeyADPFHBAUZKPGIQ-UHFFFAOYSA-N
MW140.21 g/mol
LogP0.73
Rot. Bonds1

About 2-ethenyl-1,3-thiazolidine-4-carbonitrile

2-ethenyl-1,3-thiazolidine-4-carbonitrile (PubChem CID 21316392) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-ethenyl-1,3-thiazolidine-4-carbonitrile.

Molecular Properties

Compound Name2-ethenyl-1,3-thiazolidine-4-carbonitrile
PubChem CID21316392
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name2-ethenyl-1,3-thiazolidine-4-carbonitrile
SMILESC=CC1NC(C#N)CS1
InChIInChI=1S/C6H8N2S/c1-2-6-8-5(3-7)4-9-6/h2,5-6,8H,1,4H2
InChIKeyADPFHBAUZKPGIQ-UHFFFAOYSA-N
XLogP0.73
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-4-carbonitrile?
The IUPAC name of 2-ethenyl-1,3-thiazolidine-4-carbonitrile (CID 21316392) is 2-ethenyl-1,3-thiazolidine-4-carbonitrile.
What is the SMILES notation for 2-ethenyl-1,3-thiazolidine-4-carbonitrile?
The canonical SMILES for 2-ethenyl-1,3-thiazolidine-4-carbonitrile is C=CC1NC(C#N)CS1.
What is the InChIKey of 2-ethenyl-1,3-thiazolidine-4-carbonitrile?
The InChIKey is ADPFHBAUZKPGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-2-6-8-5(3-7)4-9-6/h2,5-6,8H,1,4H2.
What are the key properties of 2-ethenyl-1,3-thiazolidine-4-carbonitrile?
2-ethenyl-1,3-thiazolidine-4-carbonitrile has a molecular weight of 140.21 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,3-thiazolidine-4-carbonitrile is sourced from PubChem (CID 21316392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).