2-[(E)-2-nitroethenyl]-1,3-thiazolidine

C5H8N2O2S — CID 173359079

IUPAC2-[(E)-2-nitroethenyl]-1,3-thiazolidine
SMILESO=[N+]([O-])/C=C/C1NCCS1
InChIInChI=1S/C5H8N2O2S/c8-7(9)3-1-5-6-2-4-10-5/h1,3,5-6H,2,4H2/b3-1+
InChIKeyLDTYEMKYKXRQBN-HNQUOIGGSA-N
MW160.20 g/mol
LogP0.44
Rot. Bonds2

About 2-[(E)-2-nitroethenyl]-1,3-thiazolidine

2-[(E)-2-nitroethenyl]-1,3-thiazolidine (PubChem CID 173359079) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 2-[(E)-2-nitroethenyl]-1,3-thiazolidine.

Molecular Properties

Compound Name2-[(E)-2-nitroethenyl]-1,3-thiazolidine
PubChem CID173359079
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name2-[(E)-2-nitroethenyl]-1,3-thiazolidine
SMILESO=[N+]([O-])/C=C/C1NCCS1
InChIInChI=1S/C5H8N2O2S/c8-7(9)3-1-5-6-2-4-10-5/h1,3,5-6H,2,4H2/b3-1+
InChIKeyLDTYEMKYKXRQBN-HNQUOIGGSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-nitroethenyl]-1,3-thiazolidine?
The IUPAC name of 2-[(E)-2-nitroethenyl]-1,3-thiazolidine (CID 173359079) is 2-[(E)-2-nitroethenyl]-1,3-thiazolidine.
What is the SMILES notation for 2-[(E)-2-nitroethenyl]-1,3-thiazolidine?
The canonical SMILES for 2-[(E)-2-nitroethenyl]-1,3-thiazolidine is O=[N+]([O-])/C=C/C1NCCS1.
What is the InChIKey of 2-[(E)-2-nitroethenyl]-1,3-thiazolidine?
The InChIKey is LDTYEMKYKXRQBN-HNQUOIGGSA-N. The full InChI is InChI=1S/C5H8N2O2S/c8-7(9)3-1-5-6-2-4-10-5/h1,3,5-6H,2,4H2/b3-1+.
What are the key properties of 2-[(E)-2-nitroethenyl]-1,3-thiazolidine?
2-[(E)-2-nitroethenyl]-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-[(E)-2-nitroethenyl]-1,3-thiazolidine is sourced from PubChem (CID 173359079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).