tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[2-[2-[(3R)-3-phenylmethoxybutoxy]ethoxymethyl]-1,3-thiazol-5-yl]indazol-5-yl]oxysilane

C35H49N3O5SSi — CID 165127080

About tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[2-[2-[(3R)-3-phenylmethoxybutoxy]ethoxymethyl]-1,3-thiazol-5-yl]indazol-5-yl]oxysilane

tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[2-[2-[(3R)-3-phenylmethoxybutoxy]ethoxymethyl]-1,3-thiazol-5-yl]indazol-5-yl]oxysilane (PubChem CID 165127080) has the molecular formula C35H49N3O5SSi and a molecular weight of 651.95 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[2-[2-[(3R)-3-phenylmethoxybutoxy]ethoxymethyl]-1,3-thiazol-5-yl]indazol-5-yl]oxysilane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[2-[2-[(3R)-3-phenylmethoxybutoxy]ethoxymethyl]-1,3-thiazol-5-yl]indazol-5-yl]oxysilane
• PubChem CID: 165127080
• Molecular Formula: C35H49N3O5SSi
• Molecular Weight: 651.95 g/mol
• Exact Mass: 651.32
• IUPAC Name: tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[2-[2-[(3R)-3-phenylmethoxybutoxy]ethoxymethyl]-1,3-thiazol-5-yl]indazol-5-yl]oxysilane
• SMILES: C[C@H](CCOCCOCc1ncc(-c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)s1)OCc1ccccc1
• InChI: InChI=1S/C35H49N3O5SSi/c1-26(42-24-27-12-8-7-9-13-27)17-19-39-20-21-40-25-32-36-23-31(44-32)34-29-22-28(43-45(5,6)35(2,3)4)15-16-30(29)38(37-34)33-14-10-11-18-41-33/h7-9,12-13,15-16,22-23,26,33H,10-11,14,17-21,24-25H2,1-6H3/t26-,33?/m1/s1
• InChIKey: MLMVFQQVEXFHDD-UOQVMRJOSA-N
• XLogP: 8.77
• TPSA: 76.86 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.95
LogP ≤ 5	8.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[2-[2-[(3R)-3-phenylmethoxybutoxy]ethoxymethyl]-1,3-thiazol-5-yl]indazol-5-yl]oxysilane?

The IUPAC name of tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[2-[2-[(3R)-3-phenylmethoxybutoxy]ethoxymethyl]-1,3-thiazol-5-yl]indazol-5-yl]oxysilane (CID 165127080) is tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[2-[2-[(3R)-3-phenylmethoxybutoxy]ethoxymethyl]-1,3-thiazol-5-yl]indazol-5-yl]oxysilane.

What is the SMILES notation for tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[2-[2-[(3R)-3-phenylmethoxybutoxy]ethoxymethyl]-1,3-thiazol-5-yl]indazol-5-yl]oxysilane?

The canonical SMILES for tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[2-[2-[(3R)-3-phenylmethoxybutoxy]ethoxymethyl]-1,3-thiazol-5-yl]indazol-5-yl]oxysilane is C[C@H](CCOCCOCc1ncc(-c2nn(C3CCCCO3)c3ccc(O[Si](C)(C)C(C)(C)C)cc23)s1)OCc1ccccc1.

What is the InChIKey of tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[2-[2-[(3R)-3-phenylmethoxybutoxy]ethoxymethyl]-1,3-thiazol-5-yl]indazol-5-yl]oxysilane?

The InChIKey is MLMVFQQVEXFHDD-UOQVMRJOSA-N. The full InChI is InChI=1S/C35H49N3O5SSi/c1-26(42-24-27-12-8-7-9-13-27)17-19-39-20-21-40-25-32-36-23-31(44-32)34-29-22-28(43-45(5,6)35(2,3)4)15-16-30(29)38(37-34)33-14-10-11-18-41-33/h7-9,12-13,15-16,22-23,26,33H,10-11,14,17-21,24-25H2,1-6H3/t26-,33?/m1/s1.

What are the key properties of tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[2-[2-[(3R)-3-phenylmethoxybutoxy]ethoxymethyl]-1,3-thiazol-5-yl]indazol-5-yl]oxysilane?

tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[2-[2-[(3R)-3-phenylmethoxybutoxy]ethoxymethyl]-1,3-thiazol-5-yl]indazol-5-yl]oxysilane has a molecular weight of 651.95 g/mol, XLogP of 8.77, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[1-(oxan-2-yl)-3-[2-[2-[(3R)-3-phenylmethoxybutoxy]ethoxymethyl]-1,3-thiazol-5-yl]indazol-5-yl]oxysilane is sourced from PubChem (CID 165127080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).