tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate

C20H38N2O3SSi — CID 11796101

About tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate

tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate (PubChem CID 11796101) has the molecular formula C20H38N2O3SSi and a molecular weight of 414.69 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate
• PubChem CID: 11796101
• Molecular Formula: C20H38N2O3SSi
• Molecular Weight: 414.69 g/mol
• Exact Mass: 414.24
• IUPAC Name: tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate
• SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)c1nccs1
• InChI: InChI=1S/C20H38N2O3SSi/c1-14(2)13-15(22-18(23)24-19(3,4)5)16(17-21-11-12-26-17)25-27(9,10)20(6,7)8/h11-12,14-16H,13H2,1-10H3,(H,22,23)/t15-,16-/m0/s1
• InChIKey: IMGPNVYNUANLBK-HOTGVXAUSA-N
• XLogP: 6.15
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.69
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate (CID 11796101) is tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate is CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)c1nccs1.

What is the InChIKey of tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate?

The InChIKey is IMGPNVYNUANLBK-HOTGVXAUSA-N. The full InChI is InChI=1S/C20H38N2O3SSi/c1-14(2)13-15(22-18(23)24-19(3,4)5)16(17-21-11-12-26-17)25-27(9,10)20(6,7)8/h11-12,14-16H,13H2,1-10H3,(H,22,23)/t15-,16-/m0/s1.

What are the key properties of tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate?

tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate has a molecular weight of 414.69 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate is sourced from PubChem (CID 11796101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).