(E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea

C15H10N4O5S — CID 137003806

About (E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea

(E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea (PubChem CID 137003806) has the molecular formula C15H10N4O5S and a molecular weight of 358.34 g/mol. Its IUPAC name is (E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea.

Molecular Properties

• Compound Name: (E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea
• PubChem CID: 137003806
• Molecular Formula: C15H10N4O5S
• Molecular Weight: 358.34 g/mol
• Exact Mass: 358.04
• IUPAC Name: (E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea
• SMILES: NC(=O)/N=C1\NC(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1
• InChI: InChI=1S/C15H10N4O5S/c16-14(21)18-15-17-13(20)12(25-15)7-8-5-6-11(24-8)9-3-1-2-4-10(9)19(22)23/h1-7H,(H3,16,17,18,20,21)/b12-7-
• InChIKey: UIBVLAIUPNWJHL-GHXNOFRVSA-N
• XLogP: 2.49
• TPSA: 140.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.34
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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'}

Frequently Asked Questions

What is the IUPAC name of (E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea?

The IUPAC name of (E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea (CID 137003806) is (E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea.

What is the SMILES notation for (E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea?

The canonical SMILES for (E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea is NC(=O)/N=C1\NC(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S1.

What is the InChIKey of (E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea?

The InChIKey is UIBVLAIUPNWJHL-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H10N4O5S/c16-14(21)18-15-17-13(20)12(25-15)7-8-5-6-11(24-8)9-3-1-2-4-10(9)19(22)23/h1-7H,(H3,16,17,18,20,21)/b12-7-.

What are the key properties of (E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea?

(E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea has a molecular weight of 358.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-[(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]urea is sourced from PubChem (CID 137003806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).