3-(2-nitro-3-pyridinyl)-1,3-thiazolidine

C8H9N3O2S — CID 86811028

IUPAC3-(2-nitro-3-pyridinyl)-1,3-thiazolidine
SMILESO=[N+]([O-])c1ncccc1N1CCSC1
InChIInChI=1S/C8H9N3O2S/c12-11(13)8-7(2-1-3-9-8)10-4-5-14-6-10/h1-3H,4-6H2
InChIKeyHDRKUDSMTKSOPS-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.50
Rot. Bonds2

About 3-(2-nitro-3-pyridinyl)-1,3-thiazolidine

3-(2-nitro-3-pyridinyl)-1,3-thiazolidine (PubChem CID 86811028) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is 3-(2-nitro-3-pyridinyl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(2-nitro-3-pyridinyl)-1,3-thiazolidine
PubChem CID86811028
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name3-(2-nitro-3-pyridinyl)-1,3-thiazolidine
SMILESO=[N+]([O-])c1ncccc1N1CCSC1
InChIInChI=1S/C8H9N3O2S/c12-11(13)8-7(2-1-3-9-8)10-4-5-14-6-10/h1-3H,4-6H2
InChIKeyHDRKUDSMTKSOPS-UHFFFAOYSA-N
XLogP1.50
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-(2-nitro-3-pyridinyl)-1,3-thiazolidine?
The IUPAC name of 3-(2-nitro-3-pyridinyl)-1,3-thiazolidine (CID 86811028) is 3-(2-nitro-3-pyridinyl)-1,3-thiazolidine.
What is the SMILES notation for 3-(2-nitro-3-pyridinyl)-1,3-thiazolidine?
The canonical SMILES for 3-(2-nitro-3-pyridinyl)-1,3-thiazolidine is O=[N+]([O-])c1ncccc1N1CCSC1.
What is the InChIKey of 3-(2-nitro-3-pyridinyl)-1,3-thiazolidine?
The InChIKey is HDRKUDSMTKSOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c12-11(13)8-7(2-1-3-9-8)10-4-5-14-6-10/h1-3H,4-6H2.
What are the key properties of 3-(2-nitro-3-pyridinyl)-1,3-thiazolidine?
3-(2-nitro-3-pyridinyl)-1,3-thiazolidine has a molecular weight of 211.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitro-3-pyridinyl)-1,3-thiazolidine is sourced from PubChem (CID 86811028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).