tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate

C39H54Cl2N4O4SSi — CID 58006895

IUPACtert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate
SMILESCCN(C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C39H54Cl2N4O4SSi/c1-11-44(30-23-43(37(47)48-38(7,8)9)24-31(30)49-51(12-2,13-3)14-4)35(46)33-32(25(5)6)45-34(26-15-19-28(40)20-16-26)39(10,42-36(45)50-33)27-17-21-29(41)22-18-27/h15-22,25,30-31,34H,11-14,23-24H2,1-10H3/t30-,31-,34+,39-/m0/s1
InChIKeySCKFNCSLMZTLCV-ITPALQKXSA-N
MW773.94 g/mol
LogP10.09
Rot. Bonds11

About tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate

tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate (PubChem CID 58006895) has the molecular formula C39H54Cl2N4O4SSi and a molecular weight of 773.94 g/mol. Its IUPAC name is tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate
PubChem CID58006895
Molecular FormulaC39H54Cl2N4O4SSi
Molecular Weight773.94 g/mol
Exact Mass772.30
IUPAC Nametert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate
SMILESCCN(C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O[Si](CC)(CC)CC
InChIInChI=1S/C39H54Cl2N4O4SSi/c1-11-44(30-23-43(37(47)48-38(7,8)9)24-31(30)49-51(12-2,13-3)14-4)35(46)33-32(25(5)6)45-34(26-15-19-28(40)20-16-26)39(10,42-36(45)50-33)27-17-21-29(41)22-18-27/h15-22,25,30-31,34H,11-14,23-24H2,1-10H3/t30-,31-,34+,39-/m0/s1
InChIKeySCKFNCSLMZTLCV-ITPALQKXSA-N
XLogP10.09
TPSA74.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.94
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-N-(2-methoxyethyl)-N-methylpyrrolidine-2-carboxamide
CID 44608667
tert-butyl N-[1-[(2S,5R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-methylpyrrolidine-2-carbonyl]-4-fluoropyrrolidin-3-yl]-N-methylcarbamate
CID 58006931
(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 58007207
(5R,6S)-N-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-[methyl-(2,2,2-trifluoroacetyl)amino]butyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 58007216
(5R,6S)-5,6-bis(4-chlorophenyl)-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 160895590
(5R,6S)-5,6-bis(4-chlorophenyl)-N-(2-methoxyethyl)-N,6-dimethyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 24967807
(5R,6S)-5,6-bis(4-chlorophenyl)-N-ethyl-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 24968511
tert-butyl N-[(2S)-4-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-propan-2-ylamino]-2-[tert-butyl(diphenyl)silyl]oxybutyl]-N-methylcarbamate
CID 58006787
1-[(2R)-4-[[(2S,5R)-1-[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-5-ethylpyrrolidin-2-yl]methyl]-2-methylpiperazin-1-yl]ethanone
CID 58006791
(5R,6S)-5,6-Bis(4-chlorophenyl)-N-[(3S,4S)-4-hydroxy-1-methylpyrrolidin-3-yl]-3-isopropyl-N,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 58006798
(5R,6S)-5,6-bis(4-chlorophenyl)-N-[[3-[(dimethylamino)methyl]oxetan-3-yl]methyl]-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 58006804
[5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazol-2-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 58006818

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate (CID 58006895) is tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate is CCN(C(=O)C1=C(C(C)C)N2C(=N[C@@](C)(c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)S1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O[Si](CC)(CC)CC.
What is the InChIKey of tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate?
The InChIKey is SCKFNCSLMZTLCV-ITPALQKXSA-N. The full InChI is InChI=1S/C39H54Cl2N4O4SSi/c1-11-44(30-23-43(37(47)48-38(7,8)9)24-31(30)49-51(12-2,13-3)14-4)35(46)33-32(25(5)6)45-34(26-15-19-28(40)20-16-26)39(10,42-36(45)50-33)27-17-21-29(41)22-18-27/h15-22,25,30-31,34H,11-14,23-24H2,1-10H3/t30-,31-,34+,39-/m0/s1.
What are the key properties of tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate?
tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate has a molecular weight of 773.94 g/mol, XLogP of 10.09, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-3-[[(5R,6S)-5,6-bis(4-chlorophenyl)-6-methyl-3-propan-2-yl-5H-imidazo[2,1-b][1,3]thiazole-2-carbonyl]-ethylamino]-4-triethylsilyloxypyrrolidine-1-carboxylate is sourced from PubChem (CID 58006895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).