tert-butyl-[[(1S)-4-[5-(4-fluoro-3-isocyanophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;tert-butyl-[[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane

C51H59FN6O3S2Si2 — CID 160685553

About tert-butyl-[[(1S)-4-[5-(4-fluoro-3-isocyanophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;tert-butyl-[[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane

tert-butyl-[[(1S)-4-[5-(4-fluoro-3-isocyanophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;tert-butyl-[[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (PubChem CID 160685553) has the molecular formula C51H59FN6O3S2Si2 and a molecular weight of 943.38 g/mol. Its IUPAC name is tert-butyl-[[(1S)-4-[5-(4-fluoro-3-isocyanophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;tert-butyl-[[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(1S)-4-[5-(4-fluoro-3-isocyanophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;tert-butyl-[[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
• PubChem CID: 160685553
• Molecular Formula: C51H59FN6O3S2Si2
• Molecular Weight: 943.38 g/mol
• Exact Mass: 942.36
• IUPAC Name: tert-butyl-[[(1S)-4-[5-(4-fluoro-3-isocyanophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;tert-butyl-[[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane
• SMILES: [C-]#[N+]c1cc(-c2nnc(-c3cccc4c3CC[C@@H]4O[Si](C)(C)C(C)(C)C)s2)ccc1F.[C-]#[N+]c1cc(-c2nnc(-c3cccc4c3CC[C@@H]4O[Si](C)(C)C(C)(C)C)s2)ccc1OC(C)C
• InChI: InChI=1S/C27H33N3O2SSi.C24H26FN3OSSi/c1-17(2)31-24-14-12-18(16-22(24)28-6)25-29-30-26(33-25)21-11-9-10-20-19(21)13-15-23(20)32-34(7,8)27(3,4)5;1-24(2,3)31(5,6)29-21-13-11-16-17(21)8-7-9-18(16)23-28-27-22(30-23)15-10-12-19(25)20(14-15)26-4/h9-12,14,16-17,23H,13,15H2,1-5,7-8H3;7-10,12,14,21H,11,13H2,1-3,5-6H3/t23-;21-/m00/s1
• InChIKey: ROSGDNNGYJOUOY-IECDAOIRSA-N
• XLogP: 15.79
• TPSA: 87.97 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.38
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1S)-4-[5-(4-fluoro-3-isocyanophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;tert-butyl-[[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(1S)-4-[5-(4-fluoro-3-isocyanophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;tert-butyl-[[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane (CID 160685553) is tert-butyl-[[(1S)-4-[5-(4-fluoro-3-isocyanophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;tert-butyl-[[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(1S)-4-[5-(4-fluoro-3-isocyanophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;tert-butyl-[[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(1S)-4-[5-(4-fluoro-3-isocyanophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;tert-butyl-[[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is [C-]#[N+]c1cc(-c2nnc(-c3cccc4c3CC[C@@H]4O[Si](C)(C)C(C)(C)C)s2)ccc1F.[C-]#[N+]c1cc(-c2nnc(-c3cccc4c3CC[C@@H]4O[Si](C)(C)C(C)(C)C)s2)ccc1OC(C)C.

What is the InChIKey of tert-butyl-[[(1S)-4-[5-(4-fluoro-3-isocyanophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;tert-butyl-[[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?

The InChIKey is ROSGDNNGYJOUOY-IECDAOIRSA-N. The full InChI is InChI=1S/C27H33N3O2SSi.C24H26FN3OSSi/c1-17(2)31-24-14-12-18(16-22(24)28-6)25-29-30-26(33-25)21-11-9-10-20-19(21)13-15-23(20)32-34(7,8)27(3,4)5;1-24(2,3)31(5,6)29-21-13-11-16-17(21)8-7-9-18(16)23-28-27-22(30-23)15-10-12-19(25)20(14-15)26-4/h9-12,14,16-17,23H,13,15H2,1-5,7-8H3;7-10,12,14,21H,11,13H2,1-3,5-6H3/t23-;21-/m00/s1.

What are the key properties of tert-butyl-[[(1S)-4-[5-(4-fluoro-3-isocyanophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;tert-butyl-[[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane?

tert-butyl-[[(1S)-4-[5-(4-fluoro-3-isocyanophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;tert-butyl-[[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane has a molecular weight of 943.38 g/mol, XLogP of 15.79, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(1S)-4-[5-(4-fluoro-3-isocyanophenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane;tert-butyl-[[(1S)-4-[5-(3-isocyano-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-dimethylsilane is sourced from PubChem (CID 160685553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).