5-[2-[2-[[5-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4-methyl-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane

C38H39N7O6S — CID 165096239

About 5-[2-[2-[[5-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4-methyl-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane

5-[2-[2-[[5-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4-methyl-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane (PubChem CID 165096239) has the molecular formula C38H39N7O6S and a molecular weight of 721.84 g/mol. Its IUPAC name is 5-[2-[2-[[5-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4-methyl-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane.

Molecular Properties

• Compound Name: 5-[2-[2-[[5-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4-methyl-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane
• PubChem CID: 165096239
• Molecular Formula: C38H39N7O6S
• Molecular Weight: 721.84 g/mol
• Exact Mass: 721.27
• IUPAC Name: 5-[2-[2-[[5-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4-methyl-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane
• SMILES: C.Cc1cc(-c2ccc(NCCOCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)nc2)ncc1-c1nc2ccc(N(C)C)cc2s1
• InChI: InChI=1S/C37H35N7O6S.CH4/c1-21-16-29(39-20-27(21)35-41-28-8-5-23(43(2)3)17-31(28)51-35)22-4-10-32(40-19-22)38-12-13-49-14-15-50-24-6-7-25-26(18-24)37(48)44(36(25)47)30-9-11-33(45)42-34(30)46;/h4-8,10,16-20,30H,9,11-15H2,1-3H3,(H,38,40)(H,42,45,46);1H4
• InChIKey: XOCGFXKRIQVLHS-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 155.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	721.84
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[[5-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4-methyl-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane?

The IUPAC name of 5-[2-[2-[[5-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4-methyl-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane (CID 165096239) is 5-[2-[2-[[5-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4-methyl-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane.

What is the SMILES notation for 5-[2-[2-[[5-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4-methyl-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane?

The canonical SMILES for 5-[2-[2-[[5-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4-methyl-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane is C.Cc1cc(-c2ccc(NCCOCCOc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)nc2)ncc1-c1nc2ccc(N(C)C)cc2s1.

What is the InChIKey of 5-[2-[2-[[5-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4-methyl-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane?

The InChIKey is XOCGFXKRIQVLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35N7O6S.CH4/c1-21-16-29(39-20-27(21)35-41-28-8-5-23(43(2)3)17-31(28)51-35)22-4-10-32(40-19-22)38-12-13-49-14-15-50-24-6-7-25-26(18-24)37(48)44(36(25)47)30-9-11-33(45)42-34(30)46;/h4-8,10,16-20,30H,9,11-15H2,1-3H3,(H,38,40)(H,42,45,46);1H4.

What are the key properties of 5-[2-[2-[[5-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4-methyl-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane?

5-[2-[2-[[5-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4-methyl-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane has a molecular weight of 721.84 g/mol, XLogP of 5.34, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-[[5-[5-[6-(dimethylamino)-1,3-benzothiazol-2-yl]-4-methyl-2-pyridinyl]-2-pyridinyl]amino]ethoxy]ethoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;methane is sourced from PubChem (CID 165096239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).