(5Z)-4-(4-hydroxyphenyl)imino-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-1,3-thiazolidin-2-one

C23H15N3O3S — CID 135782343

About (5Z)-4-(4-hydroxyphenyl)imino-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-1,3-thiazolidin-2-one

(5Z)-4-(4-hydroxyphenyl)imino-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-1,3-thiazolidin-2-one (PubChem CID 135782343) has the molecular formula C23H15N3O3S and a molecular weight of 413.46 g/mol. Its IUPAC name is (5Z)-4-(4-hydroxyphenyl)imino-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-1,3-thiazolidin-2-one.

Molecular Properties

• Compound Name: (5Z)-4-(4-hydroxyphenyl)imino-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-1,3-thiazolidin-2-one
• PubChem CID: 135782343
• Molecular Formula: C23H15N3O3S
• Molecular Weight: 413.46 g/mol
• Exact Mass: 413.08
• IUPAC Name: (5Z)-4-(4-hydroxyphenyl)imino-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-1,3-thiazolidin-2-one
• SMILES: O=C1NC(=N\c2ccc(O)cc2)/C(=C/c2ccc3noc(-c4ccccc4)c3c2)S1
• InChI: InChI=1S/C23H15N3O3S/c27-17-9-7-16(8-10-17)24-22-20(30-23(28)25-22)13-14-6-11-19-18(12-14)21(29-26-19)15-4-2-1-3-5-15/h1-13,27H,(H,24,25,28)/b20-13-
• InChIKey: DXQWTWFXFVPQDD-MOSHPQCFSA-N
• XLogP: 5.73
• TPSA: 87.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	413.46
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-(4-hydroxyphenyl)imino-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-1,3-thiazolidin-2-one?

The IUPAC name of (5Z)-4-(4-hydroxyphenyl)imino-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-1,3-thiazolidin-2-one (CID 135782343) is (5Z)-4-(4-hydroxyphenyl)imino-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-1,3-thiazolidin-2-one.

What is the SMILES notation for (5Z)-4-(4-hydroxyphenyl)imino-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-1,3-thiazolidin-2-one?

The canonical SMILES for (5Z)-4-(4-hydroxyphenyl)imino-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-1,3-thiazolidin-2-one is O=C1NC(=N\c2ccc(O)cc2)/C(=C/c2ccc3noc(-c4ccccc4)c3c2)S1.

What is the InChIKey of (5Z)-4-(4-hydroxyphenyl)imino-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-1,3-thiazolidin-2-one?

The InChIKey is DXQWTWFXFVPQDD-MOSHPQCFSA-N. The full InChI is InChI=1S/C23H15N3O3S/c27-17-9-7-16(8-10-17)24-22-20(30-23(28)25-22)13-14-6-11-19-18(12-14)21(29-26-19)15-4-2-1-3-5-15/h1-13,27H,(H,24,25,28)/b20-13-.

What are the key properties of (5Z)-4-(4-hydroxyphenyl)imino-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-1,3-thiazolidin-2-one?

(5Z)-4-(4-hydroxyphenyl)imino-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-1,3-thiazolidin-2-one has a molecular weight of 413.46 g/mol, XLogP of 5.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-4-(4-hydroxyphenyl)imino-5-[(3-phenyl-2,1-benzoxazol-5-yl)methylidene]-1,3-thiazolidin-2-one is sourced from PubChem (CID 135782343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).