(5E)-3-methyl-2-phenylimino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one

C24H27N3OS — CID 50858154

About (5E)-3-methyl-2-phenylimino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one

(5E)-3-methyl-2-phenylimino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 50858154) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is (5E)-3-methyl-2-phenylimino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5E)-3-methyl-2-phenylimino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 50858154
• Molecular Formula: C24H27N3OS
• Molecular Weight: 405.57 g/mol
• Exact Mass: 405.19
• IUPAC Name: (5E)-3-methyl-2-phenylimino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
• SMILES: CC1CC(C)(C)N(C)c2ccc(/C=C3/S/C(=N\c4ccccc4)N(C)C3=O)cc21
• InChI: InChI=1S/C24H27N3OS/c1-16-15-24(2,3)27(5)20-12-11-17(13-19(16)20)14-21-22(28)26(4)23(29-21)25-18-9-7-6-8-10-18/h6-14,16H,15H2,1-5H3/b21-14+,25-23-
• InChIKey: SGLWJVROOQOUTF-LISDSOCTSA-N
• XLogP: 5.64
• TPSA: 35.91 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.57
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-2-phenylimino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5E)-3-methyl-2-phenylimino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one (CID 50858154) is (5E)-3-methyl-2-phenylimino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (5E)-3-methyl-2-phenylimino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (5E)-3-methyl-2-phenylimino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one is CC1CC(C)(C)N(C)c2ccc(/C=C3/S/C(=N\c4ccccc4)N(C)C3=O)cc21.

What is the InChIKey of (5E)-3-methyl-2-phenylimino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is SGLWJVROOQOUTF-LISDSOCTSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-16-15-24(2,3)27(5)20-12-11-17(13-19(16)20)14-21-22(28)26(4)23(29-21)25-18-9-7-6-8-10-18/h6-14,16H,15H2,1-5H3/b21-14+,25-23-.

What are the key properties of (5E)-3-methyl-2-phenylimino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

(5E)-3-methyl-2-phenylimino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 405.57 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-3-methyl-2-phenylimino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 50858154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).