(5R,6S)-N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-yl]methyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide

C36H49Cl2N3O3SSi — CID 58006819

About (5R,6S)-N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-yl]methyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide

(5R,6S)-N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-yl]methyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 58006819) has the molecular formula C36H49Cl2N3O3SSi and a molecular weight of 702.87 g/mol. Its IUPAC name is (5R,6S)-N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-yl]methyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

• Compound Name: (5R,6S)-N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-yl]methyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
• PubChem CID: 58006819
• Molecular Formula: C36H49Cl2N3O3SSi
• Molecular Weight: 702.87 g/mol
• Exact Mass: 701.26
• IUPAC Name: (5R,6S)-N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-yl]methyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide
• SMILES: CC(C)C1=C(C(=O)N(CC2(CO[Si](C)(C)C(C)(C)C)COC2)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C36H49Cl2N3O3SSi/c1-23(2)29-30(32(42)40(24(3)4)19-36(20-43-21-36)22-44-46(9,10)34(5,6)7)45-33-39-35(8,26-13-17-28(38)18-14-26)31(41(29)33)25-11-15-27(37)16-12-25/h11-18,23-24,31H,19-22H2,1-10H3/t31-,35+/m1/s1
• InChIKey: NWLPAUMIEUOAFR-NQVJXQQZSA-N
• XLogP: 9.51
• TPSA: 54.37 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.87
LogP ≤ 5	9.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-yl]methyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?

The IUPAC name of (5R,6S)-N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-yl]methyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 58006819) is (5R,6S)-N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-yl]methyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide.

What is the SMILES notation for (5R,6S)-N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-yl]methyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?

The canonical SMILES for (5R,6S)-N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-yl]methyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is CC(C)C1=C(C(=O)N(CC2(CO[Si](C)(C)C(C)(C)C)COC2)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.

What is the InChIKey of (5R,6S)-N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-yl]methyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?

The InChIKey is NWLPAUMIEUOAFR-NQVJXQQZSA-N. The full InChI is InChI=1S/C36H49Cl2N3O3SSi/c1-23(2)29-30(32(42)40(24(3)4)19-36(20-43-21-36)22-44-46(9,10)34(5,6)7)45-33-39-35(8,26-13-17-28(38)18-14-26)31(41(29)33)25-11-15-27(37)16-12-25/h11-18,23-24,31H,19-22H2,1-10H3/t31-,35+/m1/s1.

What are the key properties of (5R,6S)-N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-yl]methyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide?

(5R,6S)-N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-yl]methyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 702.87 g/mol, XLogP of 9.51, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6S)-N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxetan-3-yl]methyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 58006819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).