(5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate;methyl 4-[(4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate

C68H89N11O18SSi2 — CID 158831836

About (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate;methyl 4-[(4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate

(5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate;methyl 4-[(4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate (PubChem CID 158831836) has the molecular formula C68H89N11O18SSi2 and a molecular weight of 1436.76 g/mol. Its IUPAC name is (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate;methyl 4-[(4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate.

Molecular Properties

• Compound Name: (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate;methyl 4-[(4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate
• PubChem CID: 158831836
• Molecular Formula: C68H89N11O18SSi2
• Molecular Weight: 1436.76 g/mol
• Exact Mass: 1435.56
• IUPAC Name: (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate;methyl 4-[(4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate
• SMILES: COC(=O)c1ccc(C2(CNC(=O)OC(C)(C)C)NC(=O)N(COCC[Si](C)(C)C)C2=O)cc1.COC(=O)c1ccc([C@]2(CNC(=O)OC(C)(C)C)NC(=O)N(COCC[Si](C)(C)C)C2=O)cc1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4csc(N)n4)cc3)NC(=O)NC1=O)C2
• InChI: InChI=1S/2C23H35N3O7Si.C22H19N5O4S/c2*1-22(2,3)33-21(30)24-14-23(17-10-8-16(9-11-17)18(27)31-4)19(28)26(20(29)25-23)15-32-12-13-34(5,6)7;1-31-15-7-4-13-9-27(18(28)16(13)8-15)11-22(19(29)25-21(30)26-22)14-5-2-12(3-6-14)17-10-32-20(23)24-17/h2*8-11H,12-15H2,1-7H3,(H,24,30)(H,25,29);2-8,10H,9,11H2,1H3,(H2,23,24)(H2,25,26,29,30)/t23-;;22-/m0.0/s1
• InChIKey: IXDHAVZGQOUIEQ-OEQRAIASSA-N
• XLogP: 8.21
• TPSA: 373.19 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1436.76
LogP ≤ 5	8.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate;methyl 4-[(4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate?

The IUPAC name of (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate;methyl 4-[(4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate (CID 158831836) is (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate;methyl 4-[(4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate.

What is the SMILES notation for (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate;methyl 4-[(4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate?

The canonical SMILES for (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate;methyl 4-[(4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate is COC(=O)c1ccc(C2(CNC(=O)OC(C)(C)C)NC(=O)N(COCC[Si](C)(C)C)C2=O)cc1.COC(=O)c1ccc([C@]2(CNC(=O)OC(C)(C)C)NC(=O)N(COCC[Si](C)(C)C)C2=O)cc1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4csc(N)n4)cc3)NC(=O)NC1=O)C2.

What is the InChIKey of (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate;methyl 4-[(4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate?

The InChIKey is IXDHAVZGQOUIEQ-OEQRAIASSA-N. The full InChI is InChI=1S/2C23H35N3O7Si.C22H19N5O4S/c2*1-22(2,3)33-21(30)24-14-23(17-10-8-16(9-11-17)18(27)31-4)19(28)26(20(29)25-23)15-32-12-13-34(5,6)7;1-31-15-7-4-13-9-27(18(28)16(13)8-15)11-22(19(29)25-21(30)26-22)14-5-2-12(3-6-14)17-10-32-20(23)24-17/h2*8-11H,12-15H2,1-7H3,(H,24,30)(H,25,29);2-8,10H,9,11H2,1H3,(H2,23,24)(H2,25,26,29,30)/t23-;;22-/m0.0/s1.

What are the key properties of (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate;methyl 4-[(4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate?

(5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate;methyl 4-[(4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate has a molecular weight of 1436.76 g/mol, XLogP of 8.21, 23 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate;methyl 4-[(4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate is sourced from PubChem (CID 158831836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).