(5Z)-5-[(2-nitrophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

C18H14N4O3S — CID 18842409

About (5Z)-5-[(2-nitrophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

(5Z)-5-[(2-nitrophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 18842409) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is (5Z)-5-[(2-nitrophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[(2-nitrophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
• PubChem CID: 18842409
• Molecular Formula: C18H14N4O3S
• Molecular Weight: 366.40 g/mol
• Exact Mass: 366.08
• IUPAC Name: (5Z)-5-[(2-nitrophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
• SMILES: C=CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])S/C1=N/c1cccnc1
• InChI: InChI=1S/C18H14N4O3S/c1-2-10-21-17(23)16(11-13-6-3-4-8-15(13)22(24)25)26-18(21)20-14-7-5-9-19-12-14/h2-9,11-12H,1,10H2/b16-11-,20-18+
• InChIKey: VQBXUDPYIPMJTL-FMIVOPDJSA-N
• XLogP: 3.78
• TPSA: 88.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.40
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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'}

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-nitrophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[(2-nitrophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 18842409) is (5Z)-5-[(2-nitrophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-[(2-nitrophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-[(2-nitrophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])S/C1=N/c1cccnc1.

What is the InChIKey of (5Z)-5-[(2-nitrophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?

The InChIKey is VQBXUDPYIPMJTL-FMIVOPDJSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-2-10-21-17(23)16(11-13-6-3-4-8-15(13)22(24)25)26-18(21)20-14-7-5-9-19-12-14/h2-9,11-12H,1,10H2/b16-11-,20-18+.

What are the key properties of (5Z)-5-[(2-nitrophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?

(5Z)-5-[(2-nitrophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 366.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[(2-nitrophenyl)methylidene]-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).