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

C17H13N3O4S — CID 156601188

IUPAC(5Z)-5-[(2-methoxy-3-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1c(/C=C2\S/C(=N/c3ccccc3)NC2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H13N3O4S/c1-24-15-11(6-5-9-13(15)20(22)23)10-14-16(21)19-17(25-14)18-12-7-3-2-4-8-12/h2-10H,1H3,(H,18,19,21)/b14-10-
InChIKeyVJOMEFJYOKJZJF-UVTDQMKNSA-N
MW355.38 g/mol
LogP3.49
Rot. Bonds4

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

(5Z)-5-[(2-methoxy-3-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 156601188) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is (5Z)-5-[(2-methoxy-3-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-methoxy-3-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID156601188
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC Name(5Z)-5-[(2-methoxy-3-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
SMILESCOc1c(/C=C2\S/C(=N/c3ccccc3)NC2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H13N3O4S/c1-24-15-11(6-5-9-13(15)20(22)23)10-14-16(21)19-17(25-14)18-12-7-3-2-4-8-12/h2-10H,1H3,(H,18,19,21)/b14-10-
InChIKeyVJOMEFJYOKJZJF-UVTDQMKNSA-N
XLogP3.49
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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)-5-[(2-methoxy-3-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-methoxy-3-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one (CID 156601188) is (5Z)-5-[(2-methoxy-3-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-methoxy-3-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-methoxy-3-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is COc1c(/C=C2\S/C(=N/c3ccccc3)NC2=O)cccc1[N+](=O)[O-].
What is the InChIKey of (5Z)-5-[(2-methoxy-3-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is VJOMEFJYOKJZJF-UVTDQMKNSA-N. The full InChI is InChI=1S/C17H13N3O4S/c1-24-15-11(6-5-9-13(15)20(22)23)10-14-16(21)19-17(25-14)18-12-7-3-2-4-8-12/h2-10H,1H3,(H,18,19,21)/b14-10-.
What are the key properties of (5Z)-5-[(2-methoxy-3-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(2-methoxy-3-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 355.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-methoxy-3-nitrophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 156601188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).