4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide

C30H36N6O5SSi — CID 166172269

About 4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide

4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide (PubChem CID 166172269) has the molecular formula C30H36N6O5SSi and a molecular weight of 620.81 g/mol. Its IUPAC name is 4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide.

Molecular Properties

• Compound Name: 4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide
• PubChem CID: 166172269
• Molecular Formula: C30H36N6O5SSi
• Molecular Weight: 620.81 g/mol
• Exact Mass: 620.22
• IUPAC Name: 4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide
• SMILES: C[C@@H]1CN(c2cccc(-c3csc(NC(=O)CNC(=O)c4ccc5c(c4)C(C#N)(O[Si](C)(C)C)COC5)n3)n2)C[C@H](C)O1
• InChI: InChI=1S/C30H36N6O5SSi/c1-19-13-36(14-20(2)40-19)26-8-6-7-24(33-26)25-16-42-29(34-25)35-27(37)12-32-28(38)21-9-10-22-15-39-18-30(17-31,23(22)11-21)41-43(3,4)5/h6-11,16,19-20H,12-15,18H2,1-5H3,(H,32,38)(H,34,35,37)/t19-,20+,30?
• InChIKey: YWGQCVKUDFCHSF-NWIIZVJYSA-N
• XLogP: 4.29
• TPSA: 138.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	620.81
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide?

The IUPAC name of 4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide (CID 166172269) is 4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide.

What is the SMILES notation for 4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide?

The canonical SMILES for 4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide is C[C@@H]1CN(c2cccc(-c3csc(NC(=O)CNC(=O)c4ccc5c(c4)C(C#N)(O[Si](C)(C)C)COC5)n3)n2)C[C@H](C)O1.

What is the InChIKey of 4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide?

The InChIKey is YWGQCVKUDFCHSF-NWIIZVJYSA-N. The full InChI is InChI=1S/C30H36N6O5SSi/c1-19-13-36(14-20(2)40-19)26-8-6-7-24(33-26)25-16-42-29(34-25)35-27(37)12-32-28(38)21-9-10-22-15-39-18-30(17-31,23(22)11-21)41-43(3,4)5/h6-11,16,19-20H,12-15,18H2,1-5H3,(H,32,38)(H,34,35,37)/t19-,20+,30?.

What are the key properties of 4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide?

4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide has a molecular weight of 620.81 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyano-N-[2-[[4-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-4-trimethylsilyloxy-1,3-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 166172269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).