6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl-[4-[[5-(2-trimethylsilylethynyl)-1H-indol-2-yl]sulfonyl]piperazin-1-yl]methanone

C24H28N4O4S2Si — CID 139897169

About 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl-[4-[[5-(2-trimethylsilylethynyl)-1H-indol-2-yl]sulfonyl]piperazin-1-yl]methanone

6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl-[4-[[5-(2-trimethylsilylethynyl)-1H-indol-2-yl]sulfonyl]piperazin-1-yl]methanone (PubChem CID 139897169) has the molecular formula C24H28N4O4S2Si and a molecular weight of 528.73 g/mol. Its IUPAC name is 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl-[4-[[5-(2-trimethylsilylethynyl)-1H-indol-2-yl]sulfonyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl-[4-[[5-(2-trimethylsilylethynyl)-1H-indol-2-yl]sulfonyl]piperazin-1-yl]methanone
• PubChem CID: 139897169
• Molecular Formula: C24H28N4O4S2Si
• Molecular Weight: 528.73 g/mol
• Exact Mass: 528.13
• IUPAC Name: 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl-[4-[[5-(2-trimethylsilylethynyl)-1H-indol-2-yl]sulfonyl]piperazin-1-yl]methanone
• SMILES: C[Si](C)(C)C#Cc1ccc2[nH]c(S(=O)(=O)N3CCN(C(=O)c4nc5c(s4)COCC5)CC3)cc2c1
• InChI: InChI=1S/C24H28N4O4S2Si/c1-35(2,3)13-7-17-4-5-19-18(14-17)15-22(25-19)34(30,31)28-10-8-27(9-11-28)24(29)23-26-20-6-12-32-16-21(20)33-23/h4-5,14-15,25H,6,8-12,16H2,1-3H3
• InChIKey: NQFUOKWEEAVULW-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 95.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.73
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl-[4-[[5-(2-trimethylsilylethynyl)-1H-indol-2-yl]sulfonyl]piperazin-1-yl]methanone?

The IUPAC name of 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl-[4-[[5-(2-trimethylsilylethynyl)-1H-indol-2-yl]sulfonyl]piperazin-1-yl]methanone (CID 139897169) is 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl-[4-[[5-(2-trimethylsilylethynyl)-1H-indol-2-yl]sulfonyl]piperazin-1-yl]methanone.

What is the SMILES notation for 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl-[4-[[5-(2-trimethylsilylethynyl)-1H-indol-2-yl]sulfonyl]piperazin-1-yl]methanone?

The canonical SMILES for 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl-[4-[[5-(2-trimethylsilylethynyl)-1H-indol-2-yl]sulfonyl]piperazin-1-yl]methanone is C[Si](C)(C)C#Cc1ccc2[nH]c(S(=O)(=O)N3CCN(C(=O)c4nc5c(s4)COCC5)CC3)cc2c1.

What is the InChIKey of 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl-[4-[[5-(2-trimethylsilylethynyl)-1H-indol-2-yl]sulfonyl]piperazin-1-yl]methanone?

The InChIKey is NQFUOKWEEAVULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S2Si/c1-35(2,3)13-7-17-4-5-19-18(14-17)15-22(25-19)34(30,31)28-10-8-27(9-11-28)24(29)23-26-20-6-12-32-16-21(20)33-23/h4-5,14-15,25H,6,8-12,16H2,1-3H3.

What are the key properties of 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl-[4-[[5-(2-trimethylsilylethynyl)-1H-indol-2-yl]sulfonyl]piperazin-1-yl]methanone?

6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl-[4-[[5-(2-trimethylsilylethynyl)-1H-indol-2-yl]sulfonyl]piperazin-1-yl]methanone has a molecular weight of 528.73 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl-[4-[[5-(2-trimethylsilylethynyl)-1H-indol-2-yl]sulfonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 139897169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).