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

C25H17N5OS2 — CID 155523011

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

3-[[2-methyl-6-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-benzo[g]indol-2-one (PubChem CID 155523011) has the molecular formula C25H17N5OS2 and a molecular weight of 467.58 g/mol. Its IUPAC name is 3-[[2-methyl-6-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-benzo[g]indol-2-one.

Molecular Properties

• Compound Name: 3-[[2-methyl-6-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-benzo[g]indol-2-one
• PubChem CID: 155523011
• Molecular Formula: C25H17N5OS2
• Molecular Weight: 467.58 g/mol
• Exact Mass: 467.09
• IUPAC Name: 3-[[2-methyl-6-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-benzo[g]indol-2-one
• SMILES: Cc1cn2c(C=C3C(=O)Nc4c3ccc3ccccc43)c(-c3c(C)nc4sccn34)nc2s1
• InChI: InChI=1S/C25H17N5OS2/c1-13-12-30-19(21(28-25(30)33-13)22-14(2)26-24-29(22)9-10-32-24)11-18-17-8-7-15-5-3-4-6-16(15)20(17)27-23(18)31/h3-12H,1-2H3,(H,27,31)
• InChIKey: UUWASUXDJXZOLW-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 63.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.58
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-6-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-benzo[g]indol-2-one?

The IUPAC name of 3-[[2-methyl-6-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-benzo[g]indol-2-one (CID 155523011) is 3-[[2-methyl-6-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-benzo[g]indol-2-one.

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

The canonical SMILES for 3-[[2-methyl-6-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-benzo[g]indol-2-one is Cc1cn2c(C=C3C(=O)Nc4c3ccc3ccccc43)c(-c3c(C)nc4sccn34)nc2s1.

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

The InChIKey is UUWASUXDJXZOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N5OS2/c1-13-12-30-19(21(28-25(30)33-13)22-14(2)26-24-29(22)9-10-32-24)11-18-17-8-7-15-5-3-4-6-16(15)20(17)27-23(18)31/h3-12H,1-2H3,(H,27,31).

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

3-[[2-methyl-6-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-benzo[g]indol-2-one has a molecular weight of 467.58 g/mol, XLogP of 6.03, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-methyl-6-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-benzo[g]indol-2-one is sourced from PubChem (CID 155523011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).