(3E)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one

C23H19N3O2S — CID 25155312

About (3E)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one

(3E)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one (PubChem CID 25155312) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is (3E)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one.

Molecular Properties

• Compound Name: (3E)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one
• PubChem CID: 25155312
• Molecular Formula: C23H19N3O2S
• Molecular Weight: 401.49 g/mol
• Exact Mass: 401.12
• IUPAC Name: (3E)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one
• SMILES: COc1ccc2c(c1)/C(=C\c1c(-c3ccc(C)cc3)nc3sc(C)cn13)C(=O)N2
• InChI: InChI=1S/C23H19N3O2S/c1-13-4-6-15(7-5-13)21-20(26-12-14(2)29-23(26)25-21)11-18-17-10-16(28-3)8-9-19(17)24-22(18)27/h4-12H,1-3H3,(H,24,27)/b18-11+
• InChIKey: ZQIPXXOEAXPMOU-WOJGMQOQSA-N
• XLogP: 5.18
• TPSA: 55.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	401.49
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3E)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one?

The IUPAC name of (3E)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one (CID 25155312) is (3E)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one.

What is the SMILES notation for (3E)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one?

The canonical SMILES for (3E)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one is COc1ccc2c(c1)/C(=C\c1c(-c3ccc(C)cc3)nc3sc(C)cn13)C(=O)N2.

What is the InChIKey of (3E)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one?

The InChIKey is ZQIPXXOEAXPMOU-WOJGMQOQSA-N. The full InChI is InChI=1S/C23H19N3O2S/c1-13-4-6-15(7-5-13)21-20(26-12-14(2)29-23(26)25-21)11-18-17-10-16(28-3)8-9-19(17)24-22(18)27/h4-12H,1-3H3,(H,24,27)/b18-11+.

What are the key properties of (3E)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one?

(3E)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one has a molecular weight of 401.49 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3E)-5-methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one is sourced from PubChem (CID 25155312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).