N-(2-chloro-6-methylphenyl)-2-[[6-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methylamino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

C30H26ClFN8O4S — CID 168872284

About N-(2-chloro-6-methylphenyl)-2-[[6-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methylamino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

N-(2-chloro-6-methylphenyl)-2-[[6-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methylamino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 168872284) has the molecular formula C30H26ClFN8O4S and a molecular weight of 649.11 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-[[6-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methylamino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-(2-chloro-6-methylphenyl)-2-[[6-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methylamino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
• PubChem CID: 168872284
• Molecular Formula: C30H26ClFN8O4S
• Molecular Weight: 649.11 g/mol
• Exact Mass: 648.15
• IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methylamino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(NCc2cc3c(cc2F)C(=O)N(C2CCC(=O)NC2=O)C3)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1
• InChI: InChI=1S/C30H26ClFN8O4S/c1-14-4-3-5-19(31)26(14)39-28(43)22-12-34-30(45-22)37-24-10-23(35-15(2)36-24)33-11-16-8-17-13-40(29(44)18(17)9-20(16)32)21-6-7-25(41)38-27(21)42/h3-5,8-10,12,21H,6-7,11,13H2,1-2H3,(H,39,43)(H,38,41,42)(H2,33,34,35,36,37)
• InChIKey: LVWLIMOYYFXLQE-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 158.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	649.11
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

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-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methylamino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The IUPAC name of N-(2-chloro-6-methylphenyl)-2-[[6-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methylamino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide (CID 168872284) is N-(2-chloro-6-methylphenyl)-2-[[6-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methylamino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-[[6-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methylamino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-[[6-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methylamino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(NCc2cc3c(cc2F)C(=O)N(C2CCC(=O)NC2=O)C3)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1.

What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-[[6-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methylamino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

The InChIKey is LVWLIMOYYFXLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClFN8O4S/c1-14-4-3-5-19(31)26(14)39-28(43)22-12-34-30(45-22)37-24-10-23(35-15(2)36-24)33-11-16-8-17-13-40(29(44)18(17)9-20(16)32)21-6-7-25(41)38-27(21)42/h3-5,8-10,12,21H,6-7,11,13H2,1-2H3,(H,39,43)(H,38,41,42)(H2,33,34,35,36,37).

What are the key properties of N-(2-chloro-6-methylphenyl)-2-[[6-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methylamino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide?

N-(2-chloro-6-methylphenyl)-2-[[6-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methylamino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 649.11 g/mol, XLogP of 4.71, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloro-6-methylphenyl)-2-[[6-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1-oxo-3H-isoindol-5-yl]methylamino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 168872284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).