2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one

C16H10N4O5S — CID 135564001

IUPAC2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc([N+](=O)[O-])cc2)SC1=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H10N4O5S/c21-15-14(9-10-3-1-2-4-13(10)20(24)25)26-16(18-15)17-11-5-7-12(8-6-11)19(22)23/h1-9H,(H,17,18,21)
InChIKeyQLGGTVXOEQHOHG-UHFFFAOYSA-N
MW370.35 g/mol
LogP3.39
Rot. Bonds4

About 2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one

2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135564001) has the molecular formula C16H10N4O5S and a molecular weight of 370.35 g/mol. Its IUPAC name is 2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135564001
Molecular FormulaC16H10N4O5S
Molecular Weight370.35 g/mol
Exact Mass370.04
IUPAC Name2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2ccc([N+](=O)[O-])cc2)SC1=Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H10N4O5S/c21-15-14(9-10-3-1-2-4-13(10)20(24)25)26-16(18-15)17-11-5-7-12(8-6-11)19(22)23/h1-9H,(H,17,18,21)
InChIKeyQLGGTVXOEQHOHG-UHFFFAOYSA-N
XLogP3.39
TPSA127.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (CID 135564001) is 2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N\c2ccc([N+](=O)[O-])cc2)SC1=Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is QLGGTVXOEQHOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O5S/c21-15-14(9-10-3-1-2-4-13(10)20(24)25)26-16(18-15)17-11-5-7-12(8-6-11)19(22)23/h1-9H,(H,17,18,21).
What are the key properties of 2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 370.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135564001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).