N-(2-chloro-6-methylphenyl)-2-[[2-[4-[6-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-4-yl]amino]-2-oxoethoxy]ethoxy]hexyl]piperazin-1-yl]-6-methyl-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide

C45H51ClN8O8S — CID 155202561

About N-(2-chloro-6-methylphenyl)-2-[[2-[4-[6-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-4-yl]amino]-2-oxoethoxy]ethoxy]hexyl]piperazin-1-yl]-6-methyl-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[2-[4-[6-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-4-yl]amino]-2-oxoethoxy]ethoxy]hexyl]piperazin-1-yl]-6-methyl-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 155202561) has the molecular formula C45H51ClN8O8S and a molecular weight of 899.47 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[2-[4-[6-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-4-yl]amino]-2-oxoethoxy]ethoxy]hexyl]piperazin-1-yl]-6-methyl-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)-2-[[2-[4-[6-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-4-yl]amino]-2-oxoethoxy]ethoxy]hexyl]piperazin-1-yl]-6-methyl-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 155202561
• Molecular Formula: C45H51ClN8O8S
• Molecular Weight: 899.47 g/mol
• Exact Mass: 898.32
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[2-[4-[6-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-4-yl]amino]-2-oxoethoxy]ethoxy]hexyl]piperazin-1-yl]-6-methyl-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide
• SMILES: Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCCCCOCCOCC(=O)Nc3cccc4c3C(=O)C(C3CCC(=O)NC3=O)C4=O)CC2)n1
• InChI: InChI=1S/C45H51ClN8O8S/c1-27-9-7-11-32(46)40(27)52-44(60)34-25-47-45(63-34)49-29-23-28(2)48-35(24-29)54-18-16-53(17-19-54)15-5-3-4-6-20-61-21-22-62-26-37(56)50-33-12-8-10-30-38(33)42(58)39(41(30)57)31-13-14-36(55)51-43(31)59/h7-12,23-25,31,39H,3-6,13-22,26H2,1-2H3,(H,50,56)(H,52,60)(H,47,48,49)(H,51,55,59)
• InChIKey: JNIUVHMVLLHFEJ-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 201.26 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 19
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	899.47
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[2-[4-[6-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-4-yl]amino]-2-oxoethoxy]ethoxy]hexyl]piperazin-1-yl]-6-methyl-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[2-[4-[6-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-4-yl]amino]-2-oxoethoxy]ethoxy]hexyl]piperazin-1-yl]-6-methyl-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide (CID 155202561) is N-(2-chloro-6-methylphenyl)-2-[[2-[4-[6-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-4-yl]amino]-2-oxoethoxy]ethoxy]hexyl]piperazin-1-yl]-6-methyl-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[2-[4-[6-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-4-yl]amino]-2-oxoethoxy]ethoxy]hexyl]piperazin-1-yl]-6-methyl-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[2-[4-[6-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-4-yl]amino]-2-oxoethoxy]ethoxy]hexyl]piperazin-1-yl]-6-methyl-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide is Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCCCCOCCOCC(=O)Nc3cccc4c3C(=O)C(C3CCC(=O)NC3=O)C4=O)CC2)n1.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[2-[4-[6-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-4-yl]amino]-2-oxoethoxy]ethoxy]hexyl]piperazin-1-yl]-6-methyl-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide?

The InChIKey is JNIUVHMVLLHFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H51ClN8O8S/c1-27-9-7-11-32(46)40(27)52-44(60)34-25-47-45(63-34)49-29-23-28(2)48-35(24-29)54-18-16-53(17-19-54)15-5-3-4-6-20-61-21-22-62-26-37(56)50-33-12-8-10-30-38(33)42(58)39(41(30)57)31-13-14-36(55)51-43(31)59/h7-12,23-25,31,39H,3-6,13-22,26H2,1-2H3,(H,50,56)(H,52,60)(H,47,48,49)(H,51,55,59).

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[2-[4-[6-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-4-yl]amino]-2-oxoethoxy]ethoxy]hexyl]piperazin-1-yl]-6-methyl-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide?

N-(2-chloro-6-methylphenyl)-2-[[2-[4-[6-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-4-yl]amino]-2-oxoethoxy]ethoxy]hexyl]piperazin-1-yl]-6-methyl-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 899.47 g/mol, XLogP of 6.21, 19 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[[2-[4-[6-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoinden-4-yl]amino]-2-oxoethoxy]ethoxy]hexyl]piperazin-1-yl]-6-methyl-4-pyridinyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155202561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).