4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)-1,3-thiazole-2-carboxamide

C27H29N5O4S — CID 157023633

About 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)-1,3-thiazole-2-carboxamide

4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)-1,3-thiazole-2-carboxamide (PubChem CID 157023633) has the molecular formula C27H29N5O4S and a molecular weight of 519.63 g/mol. Its IUPAC name is 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)-1,3-thiazole-2-carboxamide
• PubChem CID: 157023633
• Molecular Formula: C27H29N5O4S
• Molecular Weight: 519.63 g/mol
• Exact Mass: 519.19
• IUPAC Name: 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)-1,3-thiazole-2-carboxamide
• SMILES: O=C1CCC(N2Cc3c(NCc4csc(C(=O)NC56CC7CC(CC5C7)C6)n4)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C27H29N5O4S/c33-22-5-4-21(23(34)30-22)32-12-19-18(26(32)36)2-1-3-20(19)28-11-17-13-37-25(29-17)24(35)31-27-9-14-6-15(10-27)8-16(27)7-14/h1-3,13-16,21,28H,4-12H2,(H,31,35)(H,30,33,34)
• InChIKey: ZVNXDMPMAHNUHU-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 120.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.63
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)-1,3-thiazole-2-carboxamide?

The IUPAC name of 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)-1,3-thiazole-2-carboxamide (CID 157023633) is 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)-1,3-thiazole-2-carboxamide.

What is the SMILES notation for 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)-1,3-thiazole-2-carboxamide?

The canonical SMILES for 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)-1,3-thiazole-2-carboxamide is O=C1CCC(N2Cc3c(NCc4csc(C(=O)NC56CC7CC(CC5C7)C6)n4)cccc3C2=O)C(=O)N1.

What is the InChIKey of 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)-1,3-thiazole-2-carboxamide?

The InChIKey is ZVNXDMPMAHNUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O4S/c33-22-5-4-21(23(34)30-22)32-12-19-18(26(32)36)2-1-3-20(19)28-11-17-13-37-25(29-17)24(35)31-27-9-14-6-15(10-27)8-16(27)7-14/h1-3,13-16,21,28H,4-12H2,(H,31,35)(H,30,33,34).

What are the key properties of 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)-1,3-thiazole-2-carboxamide?

4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)-1,3-thiazole-2-carboxamide has a molecular weight of 519.63 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]methyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 157023633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).