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

C47H58Cl2N4O2SSi — CID 58007310

About (5R,6S)-N-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-(dimethylamino)butyl]-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(diphenyl)silyl]oxy-3-(dimethylamino)butyl]-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 58007310) has the molecular formula C47H58Cl2N4O2SSi and a molecular weight of 842.07 g/mol. Its IUPAC name is (5R,6S)-N-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-(dimethylamino)butyl]-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(diphenyl)silyl]oxy-3-(dimethylamino)butyl]-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: 58007310
• Molecular Formula: C47H58Cl2N4O2SSi
• Molecular Weight: 842.07 g/mol
• Exact Mass: 840.34
• IUPAC Name: (5R,6S)-N-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-(dimethylamino)butyl]-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](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C)C)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
• InChI: InChI=1S/C47H58Cl2N4O2SSi/c1-32(2)41-42(56-45-50-47(8,35-23-27-37(49)28-24-35)43(53(41)45)34-21-25-36(48)26-22-34)44(54)52(33(3)4)30-29-38(51(9)10)31-55-57(46(5,6)7,39-17-13-11-14-18-39)40-19-15-12-16-20-40/h11-28,32-33,38,43H,29-31H2,1-10H3/t38-,43+,47-/m0/s1
• InChIKey: AEPMUTKUQNQCNR-ZCIFSQELSA-N
• XLogP: 10.37
• TPSA: 48.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	842.07
LogP ≤ 5	10.37
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-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-(dimethylamino)butyl]-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(diphenyl)silyl]oxy-3-(dimethylamino)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 58007310) is (5R,6S)-N-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-(dimethylamino)butyl]-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(diphenyl)silyl]oxy-3-(dimethylamino)butyl]-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(diphenyl)silyl]oxy-3-(dimethylamino)butyl]-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](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(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(diphenyl)silyl]oxy-3-(dimethylamino)butyl]-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 AEPMUTKUQNQCNR-ZCIFSQELSA-N. The full InChI is InChI=1S/C47H58Cl2N4O2SSi/c1-32(2)41-42(56-45-50-47(8,35-23-27-37(49)28-24-35)43(53(41)45)34-21-25-36(48)26-22-34)44(54)52(33(3)4)30-29-38(51(9)10)31-55-57(46(5,6)7,39-17-13-11-14-18-39)40-19-15-12-16-20-40/h11-28,32-33,38,43H,29-31H2,1-10H3/t38-,43+,47-/m0/s1.

What are the key properties of (5R,6S)-N-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-(dimethylamino)butyl]-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(diphenyl)silyl]oxy-3-(dimethylamino)butyl]-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 842.07 g/mol, XLogP of 10.37, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6S)-N-[(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-(dimethylamino)butyl]-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 58007310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).