5-methanidyloxy-1'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]spiro[2,6-dihydro-1-benzofuran-6-ide-3,3'-indole]-2'-one;uranium(2+)

C24H21N3O4SU — CID 147268170

About 5-methanidyloxy-1'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]spiro[2,6-dihydro-1-benzofuran-6-ide-3,3'-indole]-2'-one;uranium(2+)

5-methanidyloxy-1'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]spiro[2,6-dihydro-1-benzofuran-6-ide-3,3'-indole]-2'-one;uranium(2+) (PubChem CID 147268170) has the molecular formula C24H21N3O4SU and a molecular weight of 685.54 g/mol. Its IUPAC name is 5-methanidyloxy-1'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]spiro[2,6-dihydro-1-benzofuran-6-ide-3,3'-indole]-2'-one;uranium(2+).

Molecular Properties

• Compound Name: 5-methanidyloxy-1'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]spiro[2,6-dihydro-1-benzofuran-6-ide-3,3'-indole]-2'-one;uranium(2+)
• PubChem CID: 147268170
• Molecular Formula: C24H21N3O4SU
• Molecular Weight: 685.54 g/mol
• Exact Mass: 685.18
• IUPAC Name: 5-methanidyloxy-1'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]spiro[2,6-dihydro-1-benzofuran-6-ide-3,3'-indole]-2'-one;uranium(2+)
• SMILES: [CH2-]Oc1[c-]cc2c(c1)C1(CO2)C(=O)N(Cc2cnc(N3CCOCC3)s2)c2ccccc21.[U+2]
• InChI: InChI=1S/C24H21N3O4S.U/c1-29-16-6-7-21-19(12-16)24(15-31-21)18-4-2-3-5-20(18)27(22(24)28)14-17-13-25-23(32-17)26-8-10-30-11-9-26;/h2-5,7,12-13H,1,8-11,14-15H2;/q-2;+2
• InChIKey: KVSOMRBOUHEMFI-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 64.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	685.54
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methanidyloxy-1'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]spiro[2,6-dihydro-1-benzofuran-6-ide-3,3'-indole]-2'-one;uranium(2+)?

The IUPAC name of 5-methanidyloxy-1'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]spiro[2,6-dihydro-1-benzofuran-6-ide-3,3'-indole]-2'-one;uranium(2+) (CID 147268170) is 5-methanidyloxy-1'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]spiro[2,6-dihydro-1-benzofuran-6-ide-3,3'-indole]-2'-one;uranium(2+).

What is the SMILES notation for 5-methanidyloxy-1'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]spiro[2,6-dihydro-1-benzofuran-6-ide-3,3'-indole]-2'-one;uranium(2+)?

The canonical SMILES for 5-methanidyloxy-1'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]spiro[2,6-dihydro-1-benzofuran-6-ide-3,3'-indole]-2'-one;uranium(2+) is [CH2-]Oc1[c-]cc2c(c1)C1(CO2)C(=O)N(Cc2cnc(N3CCOCC3)s2)c2ccccc21.[U+2].

What is the InChIKey of 5-methanidyloxy-1'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]spiro[2,6-dihydro-1-benzofuran-6-ide-3,3'-indole]-2'-one;uranium(2+)?

The InChIKey is KVSOMRBOUHEMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S.U/c1-29-16-6-7-21-19(12-16)24(15-31-21)18-4-2-3-5-20(18)27(22(24)28)14-17-13-25-23(32-17)26-8-10-30-11-9-26;/h2-5,7,12-13H,1,8-11,14-15H2;/q-2;+2.

What are the key properties of 5-methanidyloxy-1'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]spiro[2,6-dihydro-1-benzofuran-6-ide-3,3'-indole]-2'-one;uranium(2+)?

5-methanidyloxy-1'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]spiro[2,6-dihydro-1-benzofuran-6-ide-3,3'-indole]-2'-one;uranium(2+) has a molecular weight of 685.54 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methanidyloxy-1'-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]spiro[2,6-dihydro-1-benzofuran-6-ide-3,3'-indole]-2'-one;uranium(2+) is sourced from PubChem (CID 147268170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).