tert-butyl N-[[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 4-acetylbenzoate;methyl 4-(2-aminoacetyl)benzoate;methyl 4-(2-bromoacetyl)benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-4-yl]benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate

C94H121BrN12O27SSi2 — CID 160783567

IUPACtert-butyl N-[[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 4-acetylbenzoate;methyl 4-(2-aminoacetyl)benzoate;methyl 4-(2-bromoacetyl)benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-4-yl]benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate
SMILESCC(C)(C)OC(=O)NCC1(c2ccc(-c3csc(N)n3)cc2)NC(=O)N(COCC[Si](C)(C)C)C1=O.COC(=O)c1ccc(C(=O)CBr)cc1.COC(=O)c1ccc(C(=O)CN)cc1.COC(=O)c1ccc(C(C)=O)cc1.COC(=O)c1ccc(C2(CNC(=O)OC(C)(C)C)NC(=O)N(COCC[Si](C)(C)C)C2=O)cc1.COC(=O)c1ccc(C2(CNC(=O)OC(C)(C)C)NC(=O)NC2=O)cc1
InChIInChI=1S/C24H35N5O5SSi.C23H35N3O7Si.C17H21N3O6.C10H9BrO3.C10H11NO3.C10H10O3/c1-23(2,3)34-22(32)26-14-24(17-9-7-16(8-10-17)18-13-35-20(25)27-18)19(30)29(21(31)28-24)15-33-11-12-36(4,5)6;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;1-16(2,3)26-15(24)18-9-17(13(22)19-14(23)20-17)11-7-5-10(6-8-11)12(21)25-4;2*1-14-10(13)8-4-2-7(3-5-8)9(12)6-11;1-7(11)8-3-5-9(6-4-8)10(12)13-2/h7-10,13H,11-12,14-15H2,1-6H3,(H2,25,27)(H,26,32)(H,28,31);8-11H,12-15H2,1-7H3,(H,24,30)(H,25,29);5-8H,9H2,1-4H3,(H,18,24)(H2,19,20,22,23);2-5H,6H2,1H3;2-5H,6,11H2,1H3;3-6H,1-2H3
InChIKeySAXDOYZICRNZAU-UHFFFAOYSA-N
MW2019.20 g/mol
LogP12.41
Rot. Bonds30

About tert-butyl N-[[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 4-acetylbenzoate;methyl 4-(2-aminoacetyl)benzoate;methyl 4-(2-bromoacetyl)benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-4-yl]benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate

tert-butyl N-[[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 4-acetylbenzoate;methyl 4-(2-aminoacetyl)benzoate;methyl 4-(2-bromoacetyl)benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-4-yl]benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate (PubChem CID 160783567) has the molecular formula C94H121BrN12O27SSi2 and a molecular weight of 2019.20 g/mol. Its IUPAC name is tert-butyl N-[[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 4-acetylbenzoate;methyl 4-(2-aminoacetyl)benzoate;methyl 4-(2-bromoacetyl)benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-4-yl]benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate.

Molecular Properties

Compound Nametert-butyl N-[[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 4-acetylbenzoate;methyl 4-(2-aminoacetyl)benzoate;methyl 4-(2-bromoacetyl)benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-4-yl]benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate
PubChem CID160783567
Molecular FormulaC94H121BrN12O27SSi2
Molecular Weight2019.20 g/mol
Exact Mass2016.69
IUPAC Nametert-butyl N-[[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 4-acetylbenzoate;methyl 4-(2-aminoacetyl)benzoate;methyl 4-(2-bromoacetyl)benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-4-yl]benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate
SMILESCC(C)(C)OC(=O)NCC1(c2ccc(-c3csc(N)n3)cc2)NC(=O)N(COCC[Si](C)(C)C)C1=O.COC(=O)c1ccc(C(=O)CBr)cc1.COC(=O)c1ccc(C(=O)CN)cc1.COC(=O)c1ccc(C(C)=O)cc1.COC(=O)c1ccc(C2(CNC(=O)OC(C)(C)C)NC(=O)N(COCC[Si](C)(C)C)C2=O)cc1.COC(=O)c1ccc(C2(CNC(=O)OC(C)(C)C)NC(=O)NC2=O)cc1
InChIInChI=1S/C24H35N5O5SSi.C23H35N3O7Si.C17H21N3O6.C10H9BrO3.C10H11NO3.C10H10O3/c1-23(2,3)34-22(32)26-14-24(17-9-7-16(8-10-17)18-13-35-20(25)27-18)19(30)29(21(31)28-24)15-33-11-12-36(4,5)6;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;1-16(2,3)26-15(24)18-9-17(13(22)19-14(23)20-17)11-7-5-10(6-8-11)12(21)25-4;2*1-14-10(13)8-4-2-7(3-5-8)9(12)6-11;1-7(11)8-3-5-9(6-4-8)10(12)13-2/h7-10,13H,11-12,14-15H2,1-6H3,(H2,25,27)(H,26,32)(H,28,31);8-11H,12-15H2,1-7H3,(H,24,30)(H,25,29);5-8H,9H2,1-4H3,(H,18,24)(H2,19,20,22,23);2-5H,6H2,1H3;2-5H,6,11H2,1H3;3-6H,1-2H3
InChIKeySAXDOYZICRNZAU-UHFFFAOYSA-N
XLogP12.41
TPSA538.11 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds30
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002019.20
LogP ≤ 512.41
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze tert-butyl N-[[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 4-acetylbenzoate;methyl 4-(2-aminoacetyl)benzoate;methyl 4-(2-bromoacetyl)benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-4-yl]benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate with MolForge

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Related Compounds

tert-butyl N-[[(4R)-4-[4-(1-methylpyrazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 2-(bromomethyl)-5-methylbenzoate
CID 91094433
methyl 4-(2-amino-1,3-thiazol-4-yl)benzoate
CID 2060012
tert-butyl N-[[(4R)-2,5-dioxo-4-(1,3-thiazol-4-yl)imidazolidin-4-yl]methyl]carbamate
CID 175783252
(5R)-5-[(1,6-dihydroxyisoindol-2-yl)methyl]-5-(4-pyridin-4-ylphenyl)-3-(2-trimethylsilylethoxymethyl)imidazolidine-2,4-dione
CID 91348983
tert-butyl N-[[(4R)-4-(4-methyl-1,2-oxazol-5-yl)-2,5-dioxoimidazolidin-4-yl]methyl]carbamate
CID 175802307
methyl 4-iodobenzoate;methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]benzoate
CID 158487342
2-bromo-1-phenylethanone;methane;4-phenyl-1,3-thiazol-2-amine;thiourea
CID 160546403
4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide
CID 87581411
tert-butyl N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]carbamate
CID 139371491
methyl 4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 177055235
tert-butyl N-[5-iodo-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]carbamate
CID 66851624
methyl 4-[[(4R)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoate
CID 6599595

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 4-acetylbenzoate;methyl 4-(2-aminoacetyl)benzoate;methyl 4-(2-bromoacetyl)benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-4-yl]benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate?
The IUPAC name of tert-butyl N-[[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 4-acetylbenzoate;methyl 4-(2-aminoacetyl)benzoate;methyl 4-(2-bromoacetyl)benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-4-yl]benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate (CID 160783567) is tert-butyl N-[[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 4-acetylbenzoate;methyl 4-(2-aminoacetyl)benzoate;methyl 4-(2-bromoacetyl)benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-4-yl]benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate.
What is the SMILES notation for tert-butyl N-[[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 4-acetylbenzoate;methyl 4-(2-aminoacetyl)benzoate;methyl 4-(2-bromoacetyl)benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-4-yl]benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate?
The canonical SMILES for tert-butyl N-[[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 4-acetylbenzoate;methyl 4-(2-aminoacetyl)benzoate;methyl 4-(2-bromoacetyl)benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-4-yl]benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate is CC(C)(C)OC(=O)NCC1(c2ccc(-c3csc(N)n3)cc2)NC(=O)N(COCC[Si](C)(C)C)C1=O.COC(=O)c1ccc(C(=O)CBr)cc1.COC(=O)c1ccc(C(=O)CN)cc1.COC(=O)c1ccc(C(C)=O)cc1.COC(=O)c1ccc(C2(CNC(=O)OC(C)(C)C)NC(=O)N(COCC[Si](C)(C)C)C2=O)cc1.COC(=O)c1ccc(C2(CNC(=O)OC(C)(C)C)NC(=O)NC2=O)cc1.
What is the InChIKey of tert-butyl N-[[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 4-acetylbenzoate;methyl 4-(2-aminoacetyl)benzoate;methyl 4-(2-bromoacetyl)benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-4-yl]benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate?
The InChIKey is SAXDOYZICRNZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O5SSi.C23H35N3O7Si.C17H21N3O6.C10H9BrO3.C10H11NO3.C10H10O3/c1-23(2,3)34-22(32)26-14-24(17-9-7-16(8-10-17)18-13-35-20(25)27-18)19(30)29(21(31)28-24)15-33-11-12-36(4,5)6;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;1-16(2,3)26-15(24)18-9-17(13(22)19-14(23)20-17)11-7-5-10(6-8-11)12(21)25-4;2*1-14-10(13)8-4-2-7(3-5-8)9(12)6-11;1-7(11)8-3-5-9(6-4-8)10(12)13-2/h7-10,13H,11-12,14-15H2,1-6H3,(H2,25,27)(H,26,32)(H,28,31);8-11H,12-15H2,1-7H3,(H,24,30)(H,25,29);5-8H,9H2,1-4H3,(H,18,24)(H2,19,20,22,23);2-5H,6H2,1H3;2-5H,6,11H2,1H3;3-6H,1-2H3.
What are the key properties of tert-butyl N-[[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 4-acetylbenzoate;methyl 4-(2-aminoacetyl)benzoate;methyl 4-(2-bromoacetyl)benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-4-yl]benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate?
tert-butyl N-[[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 4-acetylbenzoate;methyl 4-(2-aminoacetyl)benzoate;methyl 4-(2-bromoacetyl)benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-4-yl]benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate has a molecular weight of 2019.20 g/mol, XLogP of 12.41, 30 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]methyl]carbamate;methyl 4-acetylbenzoate;methyl 4-(2-aminoacetyl)benzoate;methyl 4-(2-bromoacetyl)benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxoimidazolidin-4-yl]benzoate;methyl 4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,5-dioxo-1-(2-trimethylsilylethoxymethyl)imidazolidin-4-yl]benzoate is sourced from PubChem (CID 160783567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).