2-[[3-bromo-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C33H45BrN8O2S2Si2 — CID 163419425

About 2-[[3-bromo-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

2-[[3-bromo-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 163419425) has the molecular formula C33H45BrN8O2S2Si2 and a molecular weight of 785.99 g/mol. Its IUPAC name is 2-[[3-bromo-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: 2-[[3-bromo-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• PubChem CID: 163419425
• Molecular Formula: C33H45BrN8O2S2Si2
• Molecular Weight: 785.99 g/mol
• Exact Mass: 784.18
• IUPAC Name: 2-[[3-bromo-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
• SMILES: Cc1nnc(-c2ccc3c(Br)cn(COCC[Si](C)(C)C)c3n2)s1.Cc1nnc(-c2ccc3c(C)cn(COCC[Si](C)(C)C)c3n2)s1
• InChI: InChI=1S/C17H24N4OSSi.C16H21BrN4OSSi/c1-12-10-21(11-22-8-9-24(3,4)5)16-14(12)6-7-15(18-16)17-20-19-13(2)23-17;1-11-19-20-16(23-11)14-6-5-12-13(17)9-21(15(12)18-14)10-22-7-8-24(2,3)4/h6-7,10H,8-9,11H2,1-5H3;5-6,9H,7-8,10H2,1-4H3
• InChIKey: AHDZDFJANPCYLT-UHFFFAOYSA-N
• XLogP: 9.42
• TPSA: 105.66 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	785.99
LogP ≤ 5	9.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The IUPAC name of 2-[[3-bromo-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 163419425) is 2-[[3-bromo-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for 2-[[3-bromo-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The canonical SMILES for 2-[[3-bromo-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is Cc1nnc(-c2ccc3c(Br)cn(COCC[Si](C)(C)C)c3n2)s1.Cc1nnc(-c2ccc3c(C)cn(COCC[Si](C)(C)C)c3n2)s1.

What is the InChIKey of 2-[[3-bromo-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

The InChIKey is AHDZDFJANPCYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OSSi.C16H21BrN4OSSi/c1-12-10-21(11-22-8-9-24(3,4)5)16-14(12)6-7-15(18-16)17-20-19-13(2)23-17;1-11-19-20-16(23-11)14-6-5-12-13(17)9-21(15(12)18-14)10-22-7-8-24(2,3)4/h6-7,10H,8-9,11H2,1-5H3;5-6,9H,7-8,10H2,1-4H3.

What are the key properties of 2-[[3-bromo-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?

2-[[3-bromo-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 785.99 g/mol, XLogP of 9.42, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-bromo-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 163419425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).