N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

C43H53ClN10O3S — CID 168902269

About N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 168902269) has the molecular formula C43H53ClN10O3S and a molecular weight of 825.48 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-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-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 168902269
• Molecular Formula: C43H53ClN10O3S
• Molecular Weight: 825.48 g/mol
• Exact Mass: 824.37
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-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(CCCN3CCC4(CC3)CCN(c3ccc(C5CCC(=O)NC5=O)cc3)CC4)CC2)n1
• InChI: InChI=1S/C43H53ClN10O3S/c1-29-5-3-6-34(44)39(29)50-41(57)35-28-45-42(58-35)48-36-27-37(47-30(2)46-36)54-25-23-52(24-26-54)18-4-17-51-19-13-43(14-20-51)15-21-53(22-16-43)32-9-7-31(8-10-32)33-11-12-38(55)49-40(33)56/h3,5-10,27-28,33H,4,11-26H2,1-2H3,(H,50,57)(H,49,55,56)(H,45,46,47,48)
• InChIKey: IXBCMKKLQPZOMV-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 138.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	825.48
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', '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-[3-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-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-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (CID 168902269) is N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-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-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-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-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-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(CCCN3CCC4(CC3)CCN(c3ccc(C5CCC(=O)NC5=O)cc3)CC4)CC2)n1.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The InChIKey is IXBCMKKLQPZOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H53ClN10O3S/c1-29-5-3-6-34(44)39(29)50-41(57)35-28-45-42(58-35)48-36-27-37(47-30(2)46-36)54-25-23-52(24-26-54)18-4-17-51-19-13-43(14-20-51)15-21-53(22-16-43)32-9-7-31(8-10-32)33-11-12-38(55)49-40(33)56/h3,5-10,27-28,33H,4,11-26H2,1-2H3,(H,50,57)(H,49,55,56)(H,45,46,47,48).

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

N-(2-chloro-6-methylphenyl)-2-[[6-[4-[3-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 825.48 g/mol, XLogP of 6.61, 11 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-[3-[4-(2,6-dioxopiperidin-3-yl)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]propyl]piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 168902269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).