(5Z)-2-(2-methylphenyl)imino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one

C24H27N3OS — CID 137268542

About (5Z)-2-(2-methylphenyl)imino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(2-methylphenyl)imino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137268542) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is (5Z)-2-(2-methylphenyl)imino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-(2-methylphenyl)imino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 137268542
• Molecular Formula: C24H27N3OS
• Molecular Weight: 405.57 g/mol
• Exact Mass: 405.19
• IUPAC Name: (5Z)-2-(2-methylphenyl)imino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
• SMILES: Cc1ccccc1/N=C1\NC(=O)/C(=C/c2ccc3c(c2)C(C)CC(C)(C)N3C)S1
• InChI: InChI=1S/C24H27N3OS/c1-15-8-6-7-9-19(15)25-23-26-22(28)21(29-23)13-17-10-11-20-18(12-17)16(2)14-24(3,4)27(20)5/h6-13,16H,14H2,1-5H3,(H,25,26,28)/b21-13-
• InChIKey: JDJMYSVJQBIVPP-BKUYFWCQSA-N
• XLogP: 5.61
• TPSA: 44.70 Ų
• H-Bond Donors: 1
• 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	5.61
H-Bond Donors ≤ 5	1
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 (5Z)-2-(2-methylphenyl)imino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-(2-methylphenyl)imino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one (CID 137268542) is (5Z)-2-(2-methylphenyl)imino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-2-(2-methylphenyl)imino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one is Cc1ccccc1/N=C1\NC(=O)/C(=C/c2ccc3c(c2)C(C)CC(C)(C)N3C)S1.

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

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

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

(5Z)-2-(2-methylphenyl)imino-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 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-(2-methylphenyl)imino-5-[(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137268542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).