[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]carbamoyl]-4-(trifluoromethyl)phenoxy]propan-2-yl]carbamic acid

C30H44F3N3O6SSi — CID 68556092

About [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]carbamoyl]-4-(trifluoromethyl)phenoxy]propan-2-yl]carbamic acid

[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]carbamoyl]-4-(trifluoromethyl)phenoxy]propan-2-yl]carbamic acid (PubChem CID 68556092) has the molecular formula C30H44F3N3O6SSi and a molecular weight of 659.84 g/mol. Its IUPAC name is [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]carbamoyl]-4-(trifluoromethyl)phenoxy]propan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]carbamoyl]-4-(trifluoromethyl)phenoxy]propan-2-yl]carbamic acid
• PubChem CID: 68556092
• Molecular Formula: C30H44F3N3O6SSi
• Molecular Weight: 659.84 g/mol
• Exact Mass: 659.27
• IUPAC Name: [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]carbamoyl]-4-(trifluoromethyl)phenoxy]propan-2-yl]carbamic acid
• SMILES: CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N\C(=O)c2cc(C(F)(F)F)ccc2OC[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)O)s1
• InChI: InChI=1S/C30H44F3N3O6SSi/c1-28(2,3)24-16-36(15-21-10-9-13-40-21)26(43-24)35-25(37)22-14-19(30(31,32)33)11-12-23(22)41-17-20(34-27(38)39)18-42-44(7,8)29(4,5)6/h11-12,14,16,20-21,34H,9-10,13,15,17-18H2,1-8H3,(H,38,39)/b35-26+/t20-,21-/m1/s1
• InChIKey: VBXJJTVQBKRJCK-KJHLWIEOSA-N
• XLogP: 6.82
• TPSA: 111.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.84
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]carbamoyl]-4-(trifluoromethyl)phenoxy]propan-2-yl]carbamic acid?

The IUPAC name of [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]carbamoyl]-4-(trifluoromethyl)phenoxy]propan-2-yl]carbamic acid (CID 68556092) is [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]carbamoyl]-4-(trifluoromethyl)phenoxy]propan-2-yl]carbamic acid.

What is the SMILES notation for [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]carbamoyl]-4-(trifluoromethyl)phenoxy]propan-2-yl]carbamic acid?

The canonical SMILES for [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]carbamoyl]-4-(trifluoromethyl)phenoxy]propan-2-yl]carbamic acid is CC(C)(C)c1cn(C[C@H]2CCCO2)/c(=N\C(=O)c2cc(C(F)(F)F)ccc2OC[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)O)s1.

What is the InChIKey of [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]carbamoyl]-4-(trifluoromethyl)phenoxy]propan-2-yl]carbamic acid?

The InChIKey is VBXJJTVQBKRJCK-KJHLWIEOSA-N. The full InChI is InChI=1S/C30H44F3N3O6SSi/c1-28(2,3)24-16-36(15-21-10-9-13-40-21)26(43-24)35-25(37)22-14-19(30(31,32)33)11-12-23(22)41-17-20(34-27(38)39)18-42-44(7,8)29(4,5)6/h11-12,14,16,20-21,34H,9-10,13,15,17-18H2,1-8H3,(H,38,39)/b35-26+/t20-,21-/m1/s1.

What are the key properties of [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]carbamoyl]-4-(trifluoromethyl)phenoxy]propan-2-yl]carbamic acid?

[(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]carbamoyl]-4-(trifluoromethyl)phenoxy]propan-2-yl]carbamic acid has a molecular weight of 659.84 g/mol, XLogP of 6.82, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-[2-[[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]carbamoyl]-4-(trifluoromethyl)phenoxy]propan-2-yl]carbamic acid is sourced from PubChem (CID 68556092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).