N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[[4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

C39H47ClN10O3S — CID 168902003

About N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[[4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[[4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 168902003) has the molecular formula C39H47ClN10O3S and a molecular weight of 771.39 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[[4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]piperazin-1-yl]propyl]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-[3-[4-[[4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 168902003
• Molecular Formula: C39H47ClN10O3S
• Molecular Weight: 771.39 g/mol
• Exact Mass: 770.32
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[[4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCN3CCN(Cc4ccc(C5CCC(=O)NC5=O)cc4)CC3)CC2)n1
• InChI: InChI=1S/C39H47ClN10O3S/c1-26-5-3-6-31(40)36(26)46-38(53)32-24-41-39(54-32)44-33-23-34(43-27(2)42-33)50-21-19-48(20-22-50)14-4-13-47-15-17-49(18-16-47)25-28-7-9-29(10-8-28)30-11-12-35(51)45-37(30)52/h3,5-10,23-24,30H,4,11-22,25H2,1-2H3,(H,46,53)(H,45,51,52)(H,41,42,43,44)
• InChIKey: ZPQWOIFULQMSEH-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 138.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	771.39
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[[4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]piperazin-1-yl]propyl]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-[3-[4-[[4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (CID 168902003) is N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[[4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]piperazin-1-yl]propyl]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-[3-[4-[[4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]piperazin-1-yl]propyl]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-[3-[4-[[4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCCN3CCN(Cc4ccc(C5CCC(=O)NC5=O)cc4)CC3)CC2)n1.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[[4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The InChIKey is ZPQWOIFULQMSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H47ClN10O3S/c1-26-5-3-6-31(40)36(26)46-38(53)32-24-41-39(54-32)44-33-23-34(43-27(2)42-33)50-21-19-48(20-22-50)14-4-13-47-15-17-49(18-16-47)25-28-7-9-29(10-8-28)30-11-12-35(51)45-37(30)52/h3,5-10,23-24,30H,4,11-22,25H2,1-2H3,(H,46,53)(H,45,51,52)(H,41,42,43,44).

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[[4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[[4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 771.39 g/mol, XLogP of 5.05, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[4-[[4-(2,6-dioxopiperidin-3-yl)phenyl]methyl]piperazin-1-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 168902003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).