2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one

C19H12N4O5S — CID 135413268

IUPAC2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccco2)SC1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C19H12N4O5S/c24-18-17(29-19(21-18)22-20-11-13-4-3-9-27-13)10-12-7-8-16(28-12)14-5-1-2-6-15(14)23(25)26/h1-11H,(H,21,22,24)
InChIKeyQPJJZRMETIMKQT-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.04
Rot. Bonds5

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

2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 135413268) has the molecular formula C19H12N4O5S and a molecular weight of 408.40 g/mol. Its IUPAC name is 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID135413268
Molecular FormulaC19H12N4O5S
Molecular Weight408.40 g/mol
Exact Mass408.05
IUPAC Name2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccco2)SC1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C19H12N4O5S/c24-18-17(29-19(21-18)22-20-11-13-4-3-9-27-13)10-12-7-8-16(28-12)14-5-1-2-6-15(14)23(25)26/h1-11H,(H,21,22,24)
InChIKeyQPJJZRMETIMKQT-UHFFFAOYSA-N
XLogP4.04
TPSA123.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]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

Related Compounds

2-(benzylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135413269
N-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]formamide
CID 140752039
(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135699268
(5Z)-2-(2-methoxyphenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 136782305
(E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea
CID 137003806
(5Z)-2-(4-chlorophenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 136782310
(5E)-2-(4-chlorophenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135844513
2-(4-methylphenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135487186
(5E)-2-naphthalen-1-ylimino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135844526
2-(3,5-dimethylphenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135452175
2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135498322
methyl 2-[[(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 135834784

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 135413268) is 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is O=C1NC(=NN=Cc2ccco2)SC1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is QPJJZRMETIMKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4O5S/c24-18-17(29-19(21-18)22-20-11-13-4-3-9-27-13)10-12-7-8-16(28-12)14-5-1-2-6-15(14)23(25)26/h1-11H,(H,21,22,24).
What are the key properties of 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 408.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135413268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).