(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

C32H37Cl2F3N4O3S — CID 58007207

IUPAC(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
SMILESCC(C)C1=C(C(=O)N(CCOCCN(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/C32H37Cl2F3N4O3S/c1-19(2)25-26(28(42)40(20(3)4)16-18-44-17-15-39(6)29(43)32(35,36)37)45-30-38-31(5,22-9-13-24(34)14-10-22)27(41(25)30)21-7-11-23(33)12-8-21/h7-14,19-20,27H,15-18H2,1-6H3/t27-,31+/m1/s1
InChIKeyNQZHAXHTNRLHKQ-JOMNFKBKSA-N
MW685.64 g/mol
LogP7.51
Rot. Bonds11

About (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

(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 (PubChem CID 58007207) has the molecular formula C32H37Cl2F3N4O3S and a molecular weight of 685.64 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID58007207
Molecular FormulaC32H37Cl2F3N4O3S
Molecular Weight685.64 g/mol
Exact Mass684.19
IUPAC Name(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
SMILESCC(C)C1=C(C(=O)N(CCOCCN(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/C32H37Cl2F3N4O3S/c1-19(2)25-26(28(42)40(20(3)4)16-18-44-17-15-39(6)29(43)32(35,36)37)45-30-38-31(5,22-9-13-24(34)14-10-22)27(41(25)30)21-7-11-23(33)12-8-21/h7-14,19-20,27H,15-18H2,1-6H3/t27-,31+/m1/s1
InChIKeyNQZHAXHTNRLHKQ-JOMNFKBKSA-N
XLogP7.51
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.64
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)C1=C(C(=O)N(CCOCCN(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)-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?
The InChIKey is NQZHAXHTNRLHKQ-JOMNFKBKSA-N. The full InChI is InChI=1S/C32H37Cl2F3N4O3S/c1-19(2)25-26(28(42)40(20(3)4)16-18-44-17-15-39(6)29(43)32(35,36)37)45-30-38-31(5,22-9-13-24(34)14-10-22)27(41(25)30)21-7-11-23(33)12-8-21/h7-14,19-20,27H,15-18H2,1-6H3/t27-,31+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 685.64 g/mol, XLogP of 7.51, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 58007207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).