[5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-yl]methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate

C25H30N4O5S — CID 176718096

About [5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-yl]methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate

[5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-yl]methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate (PubChem CID 176718096) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is [5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-yl]methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate.

Molecular Properties

• Compound Name: [5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-yl]methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate
• PubChem CID: 176718096
• Molecular Formula: C25H30N4O5S
• Molecular Weight: 498.61 g/mol
• Exact Mass: 498.19
• IUPAC Name: [5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-yl]methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate
• SMILES: Cc1nc(COC(=O)NCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)sc1CC(C)(C)C
• InChI: InChI=1S/C25H30N4O5S/c1-14-19(10-25(2,3)4)35-21(27-14)13-34-24(33)26-11-15-5-6-16-12-29(23(32)17(16)9-15)18-7-8-20(30)28-22(18)31/h5-6,9,18H,7-8,10-13H2,1-4H3,(H,26,33)(H,28,30,31)
• InChIKey: JHHFBXQSYJDIES-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 117.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.61
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
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 [5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-yl]methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate?

The IUPAC name of [5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-yl]methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate (CID 176718096) is [5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-yl]methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate.

What is the SMILES notation for [5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-yl]methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate?

The canonical SMILES for [5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-yl]methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate is Cc1nc(COC(=O)NCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)sc1CC(C)(C)C.

What is the InChIKey of [5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-yl]methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate?

The InChIKey is JHHFBXQSYJDIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-14-19(10-25(2,3)4)35-21(27-14)13-34-24(33)26-11-15-5-6-16-12-29(23(32)17(16)9-15)18-7-8-20(30)28-22(18)31/h5-6,9,18H,7-8,10-13H2,1-4H3,(H,26,33)(H,28,30,31).

What are the key properties of [5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-yl]methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate?

[5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-yl]methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate has a molecular weight of 498.61 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(2,2-dimethylpropyl)-4-methyl-1,3-thiazol-2-yl]methyl N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]carbamate is sourced from PubChem (CID 176718096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).