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

C35H49Cl2N3O3SSi — CID 58006856

About (5R,6S)-N-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]-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-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]-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 58006856) has the molecular formula C35H49Cl2N3O3SSi and a molecular weight of 690.85 g/mol. Its IUPAC name is (5R,6S)-N-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]-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-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]-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: 58006856
• Molecular Formula: C35H49Cl2N3O3SSi
• Molecular Weight: 690.85 g/mol
• Exact Mass: 689.26
• IUPAC Name: (5R,6S)-N-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]-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(CC[C@H](O)CO[Si](C)(C)C(C)(C)C)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C35H49Cl2N3O3SSi/c1-22(2)29-30(32(42)39(23(3)4)20-19-28(41)21-43-45(9,10)34(5,6)7)44-33-38-35(8,25-13-17-27(37)18-14-25)31(40(29)33)24-11-15-26(36)16-12-24/h11-18,22-23,28,31,41H,19-21H2,1-10H3/t28-,31+,35-/m0/s1
• InChIKey: ZRIVEHHGNPMGQN-NLTSOJRXSA-N
• XLogP: 9.25
• TPSA: 65.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.85
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	1
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-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]-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-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]-5,6-bis(4-chlorophenyl)-6-methyl-N,3-di(propan-2-yl)-5H-imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 58006856) is (5R,6S)-N-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]-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-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]-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-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]-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(CC[C@H](O)CO[Si](C)(C)C(C)(C)C)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21.

What is the InChIKey of (5R,6S)-N-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]-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 ZRIVEHHGNPMGQN-NLTSOJRXSA-N. The full InChI is InChI=1S/C35H49Cl2N3O3SSi/c1-22(2)29-30(32(42)39(23(3)4)20-19-28(41)21-43-45(9,10)34(5,6)7)44-33-38-35(8,25-13-17-27(37)18-14-25)31(40(29)33)24-11-15-26(36)16-12-24/h11-18,22-23,28,31,41H,19-21H2,1-10H3/t28-,31+,35-/m0/s1.

What are the key properties of (5R,6S)-N-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]-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-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]-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 690.85 g/mol, XLogP of 9.25, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6S)-N-[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutyl]-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 58006856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).