N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[[2-[2-[2-[[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]-methylamino]acetyl]amino]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

C47H55ClN14O10S — CID 166959433

About N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[[2-[2-[2-[[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]-methylamino]acetyl]amino]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[[2-[2-[2-[[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]-methylamino]acetyl]amino]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 166959433) has the molecular formula C47H55ClN14O10S and a molecular weight of 1043.56 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[[2-[2-[2-[[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]-methylamino]acetyl]amino]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[[2-[2-[2-[[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]-methylamino]acetyl]amino]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 166959433
• Molecular Formula: C47H55ClN14O10S
• Molecular Weight: 1043.56 g/mol
• Exact Mass: 1042.36
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[[2-[2-[2-[[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]-methylamino]acetyl]amino]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CC(=O)N(C)CC(=O)NCCOCCNC(=O)CN(C)C(=O)CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n1
• InChI: InChI=1S/C47H55ClN14O10S/c1-27-7-5-9-30(48)42(27)57-44(69)33-22-52-47(73-33)55-34-21-35(54-28(2)53-34)61-17-15-60(16-18-61)26-40(67)59(4)25-38(65)50-14-20-72-19-13-49-37(64)24-58(3)39(66)23-51-31-10-6-8-29-41(31)46(71)62(45(29)70)32-11-12-36(63)56-43(32)68/h5-10,21-22,32,51H,11-20,23-26H2,1-4H3,(H,49,64)(H,50,65)(H,57,69)(H,56,63,68)(H,52,53,54,55)
• InChIKey: HJQOBSZLHFOBTO-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 289.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1043.56
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[[2-[2-[2-[[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]-methylamino]acetyl]amino]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[[2-[2-[2-[[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]-methylamino]acetyl]amino]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (CID 166959433) is N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[[2-[2-[2-[[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]-methylamino]acetyl]amino]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[[2-[2-[2-[[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]-methylamino]acetyl]amino]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[[2-[2-[2-[[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]-methylamino]acetyl]amino]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CC(=O)N(C)CC(=O)NCCOCCNC(=O)CN(C)C(=O)CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)n1.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[[2-[2-[2-[[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]-methylamino]acetyl]amino]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The InChIKey is HJQOBSZLHFOBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H55ClN14O10S/c1-27-7-5-9-30(48)42(27)57-44(69)33-22-52-47(73-33)55-34-21-35(54-28(2)53-34)61-17-15-60(16-18-61)26-40(67)59(4)25-38(65)50-14-20-72-19-13-49-37(64)24-58(3)39(66)23-51-31-10-6-8-29-41(31)46(71)62(45(29)70)32-11-12-36(63)56-43(32)68/h5-10,21-22,32,51H,11-20,23-26H2,1-4H3,(H,49,64)(H,50,65)(H,57,69)(H,56,63,68)(H,52,53,54,55).

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[[2-[2-[2-[[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]-methylamino]acetyl]amino]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[[2-[2-[2-[[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]-methylamino]acetyl]amino]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 1043.56 g/mol, XLogP of 1.00, 21 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[[6-[4-[2-[[2-[2-[2-[[2-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]-methylamino]acetyl]amino]ethoxy]ethylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 166959433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).