(5,6-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-[4-[[6-(2-trimethylsilylethynyl)-1-benzothiophen-2-yl]sulfonyl]piperazin-1-yl]methanone

C26H32N4O3S3Si — CID 139898120

About (5,6-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-[4-[[6-(2-trimethylsilylethynyl)-1-benzothiophen-2-yl]sulfonyl]piperazin-1-yl]methanone

(5,6-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-[4-[[6-(2-trimethylsilylethynyl)-1-benzothiophen-2-yl]sulfonyl]piperazin-1-yl]methanone (PubChem CID 139898120) has the molecular formula C26H32N4O3S3Si and a molecular weight of 572.85 g/mol. Its IUPAC name is (5,6-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-[4-[[6-(2-trimethylsilylethynyl)-1-benzothiophen-2-yl]sulfonyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (5,6-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-[4-[[6-(2-trimethylsilylethynyl)-1-benzothiophen-2-yl]sulfonyl]piperazin-1-yl]methanone
• PubChem CID: 139898120
• Molecular Formula: C26H32N4O3S3Si
• Molecular Weight: 572.85 g/mol
• Exact Mass: 572.14
• IUPAC Name: (5,6-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-[4-[[6-(2-trimethylsilylethynyl)-1-benzothiophen-2-yl]sulfonyl]piperazin-1-yl]methanone
• SMILES: CC1Cc2nc(C(=O)N3CCN(S(=O)(=O)c4cc5ccc(C#C[Si](C)(C)C)cc5s4)CC3)sc2CN1C
• InChI: InChI=1S/C26H32N4O3S3Si/c1-18-14-21-23(17-28(18)2)35-25(27-21)26(31)29-9-11-30(12-10-29)36(32,33)24-16-20-7-6-19(15-22(20)34-24)8-13-37(3,4)5/h6-7,15-16,18H,9-12,14,17H2,1-5H3
• InChIKey: CXPZESVGCRKSKW-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 73.82 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.85
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 (5,6-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-[4-[[6-(2-trimethylsilylethynyl)-1-benzothiophen-2-yl]sulfonyl]piperazin-1-yl]methanone?

The IUPAC name of (5,6-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-[4-[[6-(2-trimethylsilylethynyl)-1-benzothiophen-2-yl]sulfonyl]piperazin-1-yl]methanone (CID 139898120) is (5,6-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-[4-[[6-(2-trimethylsilylethynyl)-1-benzothiophen-2-yl]sulfonyl]piperazin-1-yl]methanone.

What is the SMILES notation for (5,6-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-[4-[[6-(2-trimethylsilylethynyl)-1-benzothiophen-2-yl]sulfonyl]piperazin-1-yl]methanone?

The canonical SMILES for (5,6-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-[4-[[6-(2-trimethylsilylethynyl)-1-benzothiophen-2-yl]sulfonyl]piperazin-1-yl]methanone is CC1Cc2nc(C(=O)N3CCN(S(=O)(=O)c4cc5ccc(C#C[Si](C)(C)C)cc5s4)CC3)sc2CN1C.

What is the InChIKey of (5,6-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-[4-[[6-(2-trimethylsilylethynyl)-1-benzothiophen-2-yl]sulfonyl]piperazin-1-yl]methanone?

The InChIKey is CXPZESVGCRKSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S3Si/c1-18-14-21-23(17-28(18)2)35-25(27-21)26(31)29-9-11-30(12-10-29)36(32,33)24-16-20-7-6-19(15-22(20)34-24)8-13-37(3,4)5/h6-7,15-16,18H,9-12,14,17H2,1-5H3.

What are the key properties of (5,6-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-[4-[[6-(2-trimethylsilylethynyl)-1-benzothiophen-2-yl]sulfonyl]piperazin-1-yl]methanone?

(5,6-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-[4-[[6-(2-trimethylsilylethynyl)-1-benzothiophen-2-yl]sulfonyl]piperazin-1-yl]methanone has a molecular weight of 572.85 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5,6-dimethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-[4-[[6-(2-trimethylsilylethynyl)-1-benzothiophen-2-yl]sulfonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 139898120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).