(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

C48H55Cl2F3N4O3SSi — CID 58007216

IUPAC(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
SMILESCC(C)C1=C(C(=O)N(CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C)C(=O)C(F)(F)F)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C48H55Cl2F3N4O3SSi/c1-31(2)40-41(61-45-54-47(8,34-22-26-36(50)27-23-34)42(57(40)45)33-20-24-35(49)25-21-33)43(58)56(32(3)4)29-28-37(55(9)44(59)48(51,52)53)30-60-62(46(5,6)7,38-16-12-10-13-17-38)39-18-14-11-15-19-39/h10-27,31-32,37,42H,28-30H2,1-9H3/t37-,42+,47-/m0/s1
InChIKeyVOKGYPRYYKRXSH-XXCKZIRBSA-N
MW924.05 g/mol
LogP10.83
Rot. Bonds14

About (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

(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 (PubChem CID 58007216) has the molecular formula C48H55Cl2F3N4O3SSi and a molecular weight of 924.05 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID58007216
Molecular FormulaC48H55Cl2F3N4O3SSi
Molecular Weight924.05 g/mol
Exact Mass922.31
IUPAC Name(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
SMILESCC(C)C1=C(C(=O)N(CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C)C(=O)C(F)(F)F)C(C)C)SC2=N[C@@](C)(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
InChIInChI=1S/C48H55Cl2F3N4O3SSi/c1-31(2)40-41(61-45-54-47(8,34-22-26-36(50)27-23-34)42(57(40)45)33-20-24-35(49)25-21-33)43(58)56(32(3)4)29-28-37(55(9)44(59)48(51,52)53)30-60-62(46(5,6)7,38-16-12-10-13-17-38)39-18-14-11-15-19-39/h10-27,31-32,37,42H,28-30H2,1-9H3/t37-,42+,47-/m0/s1
InChIKeyVOKGYPRYYKRXSH-XXCKZIRBSA-N
XLogP10.83
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500924.05
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)C1=C(C(=O)N(CC[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C)C(=O)C(F)(F)F)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-[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?
The InChIKey is VOKGYPRYYKRXSH-XXCKZIRBSA-N. The full InChI is InChI=1S/C48H55Cl2F3N4O3SSi/c1-31(2)40-41(61-45-54-47(8,34-22-26-36(50)27-23-34)42(57(40)45)33-20-24-35(49)25-21-33)43(58)56(32(3)4)29-28-37(55(9)44(59)48(51,52)53)30-60-62(46(5,6)7,38-16-12-10-13-17-38)39-18-14-11-15-19-39/h10-27,31-32,37,42H,28-30H2,1-9H3/t37-,42+,47-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 924.05 g/mol, XLogP of 10.83, 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-[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 is sourced from PubChem (CID 58007216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).