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

C18H17N3O3S — CID 155538657

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

(3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-1H-indol-2-one (PubChem CID 155538657) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-1H-indol-2-one.

Molecular Properties

• Compound Name: (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-1H-indol-2-one
• PubChem CID: 155538657
• Molecular Formula: C18H17N3O3S
• Molecular Weight: 355.42 g/mol
• Exact Mass: 355.10
• IUPAC Name: (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-1H-indol-2-one
• SMILES: COc1cc2c(cc1C)NC(=O)/C2=C/c1c(OC)nc2sc(C)cn12
• InChI: InChI=1S/C18H17N3O3S/c1-9-5-13-11(7-15(9)23-3)12(16(22)19-13)6-14-17(24-4)20-18-21(14)8-10(2)25-18/h5-8H,1-4H3,(H,19,22)/b12-6+
• InChIKey: OPZIKHMAPIOJEF-WUXMJOGZSA-N
• XLogP: 3.52
• TPSA: 64.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.42
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-1H-indol-2-one?

The IUPAC name of (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-1H-indol-2-one (CID 155538657) is (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-1H-indol-2-one.

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

The canonical SMILES for (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-1H-indol-2-one is COc1cc2c(cc1C)NC(=O)/C2=C/c1c(OC)nc2sc(C)cn12.

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

The InChIKey is OPZIKHMAPIOJEF-WUXMJOGZSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-9-5-13-11(7-15(9)23-3)12(16(22)19-13)6-14-17(24-4)20-18-21(14)8-10(2)25-18/h5-8H,1-4H3,(H,19,22)/b12-6+.

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

(3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-1H-indol-2-one has a molecular weight of 355.42 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3E)-5-methoxy-3-[(6-methoxy-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-6-methyl-1H-indol-2-one is sourced from PubChem (CID 155538657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).