2-(2-nitroethylidene)-1,3-thiazolidine

C5H8N2O2S — CID 70571420

IUPAC2-(2-nitroethylidene)-1,3-thiazolidine
SMILESO=[N+]([O-])CC=C1NCCS1
InChIInChI=1S/C5H8N2O2S/c8-7(9)3-1-5-6-2-4-10-5/h1,6H,2-4H2
InChIKeyCNVGQYVDSQVCJO-UHFFFAOYSA-N
MW160.20 g/mol
LogP0.44
Rot. Bonds2

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

2-(2-nitroethylidene)-1,3-thiazolidine (PubChem CID 70571420) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 2-(2-nitroethylidene)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2-nitroethylidene)-1,3-thiazolidine
PubChem CID70571420
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name2-(2-nitroethylidene)-1,3-thiazolidine
SMILESO=[N+]([O-])CC=C1NCCS1
InChIInChI=1S/C5H8N2O2S/c8-7(9)3-1-5-6-2-4-10-5/h1,6H,2-4H2
InChIKeyCNVGQYVDSQVCJO-UHFFFAOYSA-N
XLogP0.44
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.44
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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Related Compounds

CID 6455311
CID 6455311
CID 3835583
CID 3835583
CID 5936028
CID 5936028
CID 23452148
CID 23452148
CID 53895187
CID 53895187
CID 70249121
CID 70249121
CID 70249122
CID 70249122
CID 173359079
CID 173359079

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitroethylidene)-1,3-thiazolidine?
The IUPAC name of 2-(2-nitroethylidene)-1,3-thiazolidine (CID 70571420) is 2-(2-nitroethylidene)-1,3-thiazolidine.
What is the SMILES notation for 2-(2-nitroethylidene)-1,3-thiazolidine?
The canonical SMILES for 2-(2-nitroethylidene)-1,3-thiazolidine is O=[N+]([O-])CC=C1NCCS1.
What is the InChIKey of 2-(2-nitroethylidene)-1,3-thiazolidine?
The InChIKey is CNVGQYVDSQVCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c8-7(9)3-1-5-6-2-4-10-5/h1,6H,2-4H2.
What are the key properties of 2-(2-nitroethylidene)-1,3-thiazolidine?
2-(2-nitroethylidene)-1,3-thiazolidine has a molecular weight of 160.20 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitroethylidene)-1,3-thiazolidine is sourced from PubChem (CID 70571420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).