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

C20H13N3O4S — CID 135413275

IUPAC5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
SMILESO=C1N/C(=N\c2ccccc2)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1
InChIInChI=1S/C20H13N3O4S/c24-20-22-19(21-14-4-2-1-3-5-14)18(28-20)12-16-10-11-17(27-16)13-6-8-15(9-7-13)23(25)26/h1-12H,(H,21,22,24)
InChIKeyJYXXZOPYDQRCGK-UHFFFAOYSA-N
MW391.41 g/mol
LogP5.38
Rot. Bonds4

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

5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one (PubChem CID 135413275) has the molecular formula C20H13N3O4S and a molecular weight of 391.41 g/mol. Its IUPAC name is 5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
PubChem CID135413275
Molecular FormulaC20H13N3O4S
Molecular Weight391.41 g/mol
Exact Mass391.06
IUPAC Name5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
SMILESO=C1N/C(=N\c2ccccc2)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1
InChIInChI=1S/C20H13N3O4S/c24-20-22-19(21-14-4-2-1-3-5-14)18(28-20)12-16-10-11-17(27-16)13-6-8-15(9-7-13)23(25)26/h1-12H,(H,21,22,24)
InChIKeyJYXXZOPYDQRCGK-UHFFFAOYSA-N
XLogP5.38
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.41
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-4-(3,4-dimethylphenyl)imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-2-one
CID 135782484
4-[5-[(2-oxo-4-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonamide
CID 135498345
(5Z)-4-(3-methylphenyl)imino-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidin-2-one
CID 135782430
(5Z)-5-benzylidene-4-(4-nitrophenyl)imino-1,3-thiazolidin-2-one
CID 135711695
4-(4-fluorophenyl)imino-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-2-one
CID 135413266
4-[5-[(Z)-[4-(4-fluorophenyl)imino-2-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 135782451
(5Z)-5-[[5-(2,3-dichlorophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one
CID 135782284
5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135480912
3-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-5-phenyl-1H-pyrrol-2-one
CID 175310610
(5Z)-2-(4-methoxyphenyl)imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 136782321
(5E)-5-[[5-(4-phenylphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 87197083
(5Z)-2-(3,5-dimethylphenyl)imino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135592688

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one?
The IUPAC name of 5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one (CID 135413275) is 5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one.
What is the SMILES notation for 5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one?
The canonical SMILES for 5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one is O=C1N/C(=N\c2ccccc2)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1.
What is the InChIKey of 5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one?
The InChIKey is JYXXZOPYDQRCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O4S/c24-20-22-19(21-14-4-2-1-3-5-14)18(28-20)12-16-10-11-17(27-16)13-6-8-15(9-7-13)23(25)26/h1-12H,(H,21,22,24).
What are the key properties of 5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one?
5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one has a molecular weight of 391.41 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-phenylimino-1,3-thiazolidin-2-one is sourced from PubChem (CID 135413275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).