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

C21H14N4O4S — CID 135413269

IUPAC2-(benzylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccccc2)SC1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C21H14N4O4S/c26-20-19(30-21(23-20)24-22-13-14-6-2-1-3-7-14)12-15-10-11-18(29-15)16-8-4-5-9-17(16)25(27)28/h1-13H,(H,23,24,26)
InChIKeyYRDMQKNVBQBYKY-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.45
Rot. Bonds5

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

2-(benzylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 135413269) has the molecular formula C21H14N4O4S and a molecular weight of 418.43 g/mol. Its IUPAC name is 2-(benzylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(benzylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID135413269
Molecular FormulaC21H14N4O4S
Molecular Weight418.43 g/mol
Exact Mass418.07
IUPAC Name2-(benzylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=NN=Cc2ccccc2)SC1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1
InChIInChI=1S/C21H14N4O4S/c26-20-19(30-21(23-20)24-22-13-14-6-2-1-3-7-14)12-15-10-11-18(29-15)16-8-4-5-9-17(16)25(27)28/h1-13H,(H,23,24,26)
InChIKeyYRDMQKNVBQBYKY-UHFFFAOYSA-N
XLogP4.45
TPSA110.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.45
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'}

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Related Compounds

2-(furan-2-ylmethylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135413268
(5E)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135699268
N-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]formamide
CID 140752039
(2E)-2-(benzylidenehydrazinylidene)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135665801
(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
2-(4-methylphenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135487186
(5E)-2-(4-chlorophenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135844513
(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
(2E,5E)-2-[(E)-benzylidenehydrazinylidene]-5-[[5-(2,6-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135782311

Frequently Asked Questions

What is the IUPAC name of 2-(benzylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(benzylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 135413269) is 2-(benzylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(benzylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(benzylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is O=C1NC(=NN=Cc2ccccc2)SC1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1.
What is the InChIKey of 2-(benzylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is YRDMQKNVBQBYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O4S/c26-20-19(30-21(23-20)24-22-13-14-6-2-1-3-7-14)12-15-10-11-18(29-15)16-8-4-5-9-17(16)25(27)28/h1-13H,(H,23,24,26).
What are the key properties of 2-(benzylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
2-(benzylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 418.43 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylidenehydrazinylidene)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135413269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).