2-(nitromethylidene)-1,3-thiazolidine

C4H6N2O2S — CID 3835583

IUPAC2-(nitromethylidene)-1,3-thiazolidine
SMILESO=[N+]([O-])C=C1NCCS1
InChIInChI=1S/C4H6N2O2S/c7-6(8)3-4-5-1-2-9-4/h3,5H,1-2H2
InChIKeyIDEZECZCLMOIJN-UHFFFAOYSA-N
MW146.17 g/mol
LogP0.40
Rot. Bonds1

About 2-(nitromethylidene)-1,3-thiazolidine

2-(nitromethylidene)-1,3-thiazolidine (PubChem CID 3835583) has the molecular formula C4H6N2O2S and a molecular weight of 146.17 g/mol. Its IUPAC name is 2-(nitromethylidene)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(nitromethylidene)-1,3-thiazolidine
PubChem CID3835583
Molecular FormulaC4H6N2O2S
Molecular Weight146.17 g/mol
Exact Mass146.01
IUPAC Name2-(nitromethylidene)-1,3-thiazolidine
SMILESO=[N+]([O-])C=C1NCCS1
InChIInChI=1S/C4H6N2O2S/c7-6(8)3-4-5-1-2-9-4/h3,5H,1-2H2
InChIKeyIDEZECZCLMOIJN-UHFFFAOYSA-N
XLogP0.40
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.17
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(nitromethylidene)-1,3-thiazolidine?
The IUPAC name of 2-(nitromethylidene)-1,3-thiazolidine (CID 3835583) is 2-(nitromethylidene)-1,3-thiazolidine.
What is the SMILES notation for 2-(nitromethylidene)-1,3-thiazolidine?
The canonical SMILES for 2-(nitromethylidene)-1,3-thiazolidine is O=[N+]([O-])C=C1NCCS1.
What is the InChIKey of 2-(nitromethylidene)-1,3-thiazolidine?
The InChIKey is IDEZECZCLMOIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S/c7-6(8)3-4-5-1-2-9-4/h3,5H,1-2H2.
What are the key properties of 2-(nitromethylidene)-1,3-thiazolidine?
2-(nitromethylidene)-1,3-thiazolidine has a molecular weight of 146.17 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(nitromethylidene)-1,3-thiazolidine is sourced from PubChem (CID 3835583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).