N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]benzamide

C23H30BrN3O2SSi — CID 58015371

About N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]benzamide

N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]benzamide (PubChem CID 58015371) has the molecular formula C23H30BrN3O2SSi and a molecular weight of 520.57 g/mol. Its IUPAC name is N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]benzamide
• PubChem CID: 58015371
• Molecular Formula: C23H30BrN3O2SSi
• Molecular Weight: 520.57 g/mol
• Exact Mass: 519.10
• IUPAC Name: N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]benzamide
• SMILES: CC(C)(CO[Si](C)(C)C(C)(C)C)c1ccc(C(=O)Nc2nc3ccc(Br)nc3s2)cc1
• InChI: InChI=1S/C23H30BrN3O2SSi/c1-22(2,3)31(6,7)29-14-23(4,5)16-10-8-15(9-11-16)19(28)27-21-25-17-12-13-18(24)26-20(17)30-21/h8-13H,14H2,1-7H3,(H,25,27,28)
• InChIKey: QAPRXHNOZNXUQW-UHFFFAOYSA-N
• XLogP: 7.01
• TPSA: 64.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.57
LogP ≤ 5	7.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]benzamide?

The IUPAC name of N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]benzamide (CID 58015371) is N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]benzamide.

What is the SMILES notation for N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]benzamide?

The canonical SMILES for N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]benzamide is CC(C)(CO[Si](C)(C)C(C)(C)C)c1ccc(C(=O)Nc2nc3ccc(Br)nc3s2)cc1.

What is the InChIKey of N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]benzamide?

The InChIKey is QAPRXHNOZNXUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BrN3O2SSi/c1-22(2,3)31(6,7)29-14-23(4,5)16-10-8-15(9-11-16)19(28)27-21-25-17-12-13-18(24)26-20(17)30-21/h8-13H,14H2,1-7H3,(H,25,27,28).

What are the key properties of N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]benzamide?

N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]benzamide has a molecular weight of 520.57 g/mol, XLogP of 7.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[1-[tert-butyl(dimethyl)silyl]oxy-2-methylpropan-2-yl]benzamide is sourced from PubChem (CID 58015371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).