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

C15H11N3O5S — CID 86206595

IUPAC(5Z)-2-imino-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)S1
InChIInChI=1S/C15H11N3O5S/c1-22-8-2-4-10(11(6-8)18(20)21)12-5-3-9(23-12)7-13-14(19)17-15(16)24-13/h2-7H,1H3,(H2,16,17,19)/b13-7-
InChIKeyVIGJVXIJBLVADG-QPEQYQDCSA-N
MW345.34 g/mol
LogP3.00
Rot. Bonds4

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

(5Z)-2-imino-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 86206595) has the molecular formula C15H11N3O5S and a molecular weight of 345.34 g/mol. Its IUPAC name is (5Z)-2-imino-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-imino-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID86206595
Molecular FormulaC15H11N3O5S
Molecular Weight345.34 g/mol
Exact Mass345.04
IUPAC Name(5Z)-2-imino-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)S1
InChIInChI=1S/C15H11N3O5S/c1-22-8-2-4-10(11(6-8)18(20)21)12-5-3-9(23-12)7-13-14(19)17-15(16)24-13/h2-7H,1H3,(H2,16,17,19)/b13-7-
InChIKeyVIGJVXIJBLVADG-QPEQYQDCSA-N
XLogP3.00
TPSA118.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-imino-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-imino-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 86206595) is (5Z)-2-imino-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-imino-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-imino-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)S1.
What is the InChIKey of (5Z)-2-imino-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is VIGJVXIJBLVADG-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H11N3O5S/c1-22-8-2-4-10(11(6-8)18(20)21)12-5-3-9(23-12)7-13-14(19)17-15(16)24-13/h2-7H,1H3,(H2,16,17,19)/b13-7-.
What are the key properties of (5Z)-2-imino-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-imino-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 345.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-imino-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 86206595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).