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

C22H40N2O5SSi — CID 10961732

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

tert-butyl N-[4-[(S)-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 10961732) has the molecular formula C22H40N2O5SSi and a molecular weight of 472.72 g/mol. Its IUPAC name is tert-butyl N-[4-[(S)-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-[(S)-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-thiazol-2-yl]carbamate
• PubChem CID: 10961732
• Molecular Formula: C22H40N2O5SSi
• Molecular Weight: 472.72 g/mol
• Exact Mass: 472.24
• IUPAC Name: tert-butyl N-[4-[(S)-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-thiazol-2-yl]carbamate
• SMILES: CC(C)C(C)(C)[Si](C)(C)O[C@@H](c1csc(NC(=O)OC(C)(C)C)n1)[C@H]1COC(C)(C)O1
• InChI: InChI=1S/C22H40N2O5SSi/c1-14(2)21(6,7)31(10,11)29-17(16-12-26-22(8,9)27-16)15-13-30-18(23-15)24-19(25)28-20(3,4)5/h13-14,16-17H,12H2,1-11H3,(H,23,24,25)/t16-,17+/m1/s1
• InChIKey: WGWAJOSCNZXUAF-SJORKVTESA-N
• XLogP: 6.34
• TPSA: 78.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.72
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	1
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 tert-butyl N-[4-[(S)-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-thiazol-2-yl]carbamate?

The IUPAC name of tert-butyl N-[4-[(S)-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-thiazol-2-yl]carbamate (CID 10961732) is tert-butyl N-[4-[(S)-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-thiazol-2-yl]carbamate.

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

The canonical SMILES for tert-butyl N-[4-[(S)-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-thiazol-2-yl]carbamate is CC(C)C(C)(C)[Si](C)(C)O[C@@H](c1csc(NC(=O)OC(C)(C)C)n1)[C@H]1COC(C)(C)O1.

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

The InChIKey is WGWAJOSCNZXUAF-SJORKVTESA-N. The full InChI is InChI=1S/C22H40N2O5SSi/c1-14(2)21(6,7)31(10,11)29-17(16-12-26-22(8,9)27-16)15-13-30-18(23-15)24-19(25)28-20(3,4)5/h13-14,16-17H,12H2,1-11H3,(H,23,24,25)/t16-,17+/m1/s1.

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

tert-butyl N-[4-[(S)-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 472.72 g/mol, XLogP of 6.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[(S)-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 10961732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).