2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide

C23H28N4O4S — CID 108768896

About 2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide

2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 108768896) has the molecular formula C23H28N4O4S and a molecular weight of 456.57 g/mol. Its IUPAC name is 2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

• Compound Name: 2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
• PubChem CID: 108768896
• Molecular Formula: C23H28N4O4S
• Molecular Weight: 456.57 g/mol
• Exact Mass: 456.18
• IUPAC Name: 2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide
• SMILES: CCC(C)N1C(=O)c2ccc(C(=O)N(C)Cc3csc(CN4CCOCC4)n3)cc2C1=O
• InChI: InChI=1S/C23H28N4O4S/c1-4-15(2)27-22(29)18-6-5-16(11-19(18)23(27)30)21(28)25(3)12-17-14-32-20(24-17)13-26-7-9-31-10-8-26/h5-6,11,14-15H,4,7-10,12-13H2,1-3H3
• InChIKey: ISKIOZBEYPBCCV-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 83.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.57
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	0
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 2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide?

The IUPAC name of 2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide (CID 108768896) is 2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide.

What is the SMILES notation for 2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide?

The canonical SMILES for 2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide is CCC(C)N1C(=O)c2ccc(C(=O)N(C)Cc3csc(CN4CCOCC4)n3)cc2C1=O.

What is the InChIKey of 2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide?

The InChIKey is ISKIOZBEYPBCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4S/c1-4-15(2)27-22(29)18-6-5-16(11-19(18)23(27)30)21(28)25(3)12-17-14-32-20(24-17)13-26-7-9-31-10-8-26/h5-6,11,14-15H,4,7-10,12-13H2,1-3H3.

What are the key properties of 2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide?

2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butan-2-yl-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 108768896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).