2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane

C184H232N24O16S8 — CID 157282748

IUPAC2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane
SMILESC.C.C.C.C.C.C.C.[2H]C([2H])(C(=O)Nc1ccc(CCCC([2H])([2H])[C@H](O)c2ccccc2)cc1)c1csc(N)n1.[2H]C([2H])(C(=O)Nc1ccc(CCCC([2H])([2H])[C@]([2H])(O)c2ccccc2)cc1)c1csc(N)n1.[2H]C([2H])(C(=O)Nc1ccc(CCCC[C@@]([2H])(O)c2ccccc2)cc1)c1csc(N)n1.[2H]C([2H])(C(=O)Nc1ccc(CCCC[C@H](O)c2ccccc2)cc1)c1csc(N)n1.[2H]C([2H])(CCC([2H])([2H])[C@H](O)c1ccccc1)c1ccc(NC(=O)Cc2csc(N)n2)cc1.[2H]C([2H])(CCC([2H])([2H])[C@]([2H])(O)c1ccccc1)c1ccc(NC(=O)Cc2csc(N)n2)cc1.[2H]C([2H])(CCC[C@H](O)c1ccccc1)c1ccc(NC(=O)Cc2csc(N)n2)cc1.[2H]C([2H])(CCC[C@]([2H])(O)c1ccccc1)c1ccc(NC(=O)Cc2csc(N)n2)cc1
InChIInChI=1S/8C22H25N3O2S.8CH4/c8*23-22-25-19(15-28-22)14-21(27)24-18-12-10-16(11-13-18)6-4-5-9-20(26)17-7-2-1-3-8-17;;;;;;;;/h8*1-3,7-8,10-13,15,20,26H,4-6,9,14H2,(H2,23,25)(H,24,27);8*1H4/t8*20-;;;;;;;;/m10000000......../s1/i14D2,20D;9D2,14D2,20D;6D2,9D2,20D;9D2,14D2;6D2,20D;6D2,9D2;14D2;6D2;;;;;;;;
InChIKeyAZVXWLCTSPYDIY-CSOHZVLESA-N
MW3320.74 g/mol
LogP39.91
Rot. Bonds72

About 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane

2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane (PubChem CID 157282748) has the molecular formula C184H232N24O16S8 and a molecular weight of 3320.74 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane
PubChem CID157282748
Molecular FormulaC184H232N24O16S8
Molecular Weight3320.74 g/mol
Exact Mass3317.76
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane
SMILESC.C.C.C.C.C.C.C.[2H]C([2H])(C(=O)Nc1ccc(CCCC([2H])([2H])[C@H](O)c2ccccc2)cc1)c1csc(N)n1.[2H]C([2H])(C(=O)Nc1ccc(CCCC([2H])([2H])[C@]([2H])(O)c2ccccc2)cc1)c1csc(N)n1.[2H]C([2H])(C(=O)Nc1ccc(CCCC[C@@]([2H])(O)c2ccccc2)cc1)c1csc(N)n1.[2H]C([2H])(C(=O)Nc1ccc(CCCC[C@H](O)c2ccccc2)cc1)c1csc(N)n1.[2H]C([2H])(CCC([2H])([2H])[C@H](O)c1ccccc1)c1ccc(NC(=O)Cc2csc(N)n2)cc1.[2H]C([2H])(CCC([2H])([2H])[C@]([2H])(O)c1ccccc1)c1ccc(NC(=O)Cc2csc(N)n2)cc1.[2H]C([2H])(CCC[C@H](O)c1ccccc1)c1ccc(NC(=O)Cc2csc(N)n2)cc1.[2H]C([2H])(CCC[C@]([2H])(O)c1ccccc1)c1ccc(NC(=O)Cc2csc(N)n2)cc1
InChIInChI=1S/8C22H25N3O2S.8CH4/c8*23-22-25-19(15-28-22)14-21(27)24-18-12-10-16(11-13-18)6-4-5-9-20(26)17-7-2-1-3-8-17;;;;;;;;/h8*1-3,7-8,10-13,15,20,26H,4-6,9,14H2,(H2,23,25)(H,24,27);8*1H4/t8*20-;;;;;;;;/m10000000......../s1/i14D2,20D;9D2,14D2,20D;6D2,9D2,20D;9D2,14D2;6D2,20D;6D2,9D2;14D2;6D2;;;;;;;;
InChIKeyAZVXWLCTSPYDIY-CSOHZVLESA-N
XLogP39.91
TPSA705.92 Ų
H-Bond Donors24
H-Bond Acceptors40
Rotatable Bonds72
Heavy Atoms232
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003320.74
LogP ≤ 539.91
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1040

Analyze 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane (CID 157282748) is 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane is C.C.C.C.C.C.C.C.[2H]C([2H])(C(=O)Nc1ccc(CCCC([2H])([2H])[C@H](O)c2ccccc2)cc1)c1csc(N)n1.[2H]C([2H])(C(=O)Nc1ccc(CCCC([2H])([2H])[C@]([2H])(O)c2ccccc2)cc1)c1csc(N)n1.[2H]C([2H])(C(=O)Nc1ccc(CCCC[C@@]([2H])(O)c2ccccc2)cc1)c1csc(N)n1.[2H]C([2H])(C(=O)Nc1ccc(CCCC[C@H](O)c2ccccc2)cc1)c1csc(N)n1.[2H]C([2H])(CCC([2H])([2H])[C@H](O)c1ccccc1)c1ccc(NC(=O)Cc2csc(N)n2)cc1.[2H]C([2H])(CCC([2H])([2H])[C@]([2H])(O)c1ccccc1)c1ccc(NC(=O)Cc2csc(N)n2)cc1.[2H]C([2H])(CCC[C@H](O)c1ccccc1)c1ccc(NC(=O)Cc2csc(N)n2)cc1.[2H]C([2H])(CCC[C@]([2H])(O)c1ccccc1)c1ccc(NC(=O)Cc2csc(N)n2)cc1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane?
The InChIKey is AZVXWLCTSPYDIY-CSOHZVLESA-N. The full InChI is InChI=1S/8C22H25N3O2S.8CH4/c8*23-22-25-19(15-28-22)14-21(27)24-18-12-10-16(11-13-18)6-4-5-9-20(26)17-7-2-1-3-8-17;;;;;;;;/h8*1-3,7-8,10-13,15,20,26H,4-6,9,14H2,(H2,23,25)(H,24,27);8*1H4/t8*20-;;;;;;;;/m10000000......../s1/i14D2,20D;9D2,14D2,20D;6D2,9D2,20D;9D2,14D2;6D2,20D;6D2,9D2;14D2;6D2;;;;;;;;.
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane?
2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane has a molecular weight of 3320.74 g/mol, XLogP of 39.91, 72 rotatable bonds, 24 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane is sourced from PubChem (CID 157282748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).