2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,2,2-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide

C184H216N24O16S8 — CID 160783153

IUPAC2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,2,2-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide
SMILES[2H]c1c([2H])c([C@@H](O)C([2H])([2H])CC([2H])([2H])Cc2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@H](O)C([2H])([2H])CCC([2H])([2H])c2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@H](O)CCC([2H])([2H])C([2H])([2H])c2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@H](O)CCC([2H])([2H])Cc2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@]([2H])(O)C([2H])([2H])CC([2H])([2H])Cc2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@]([2H])(O)C([2H])([2H])CCC([2H])([2H])c2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@]([2H])(O)CCC([2H])([2H])Cc2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@]([2H])(O)CCCC([2H])([2H])c2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C
InChIInChI=1S/8C23H27N3O2S/c8*1-16-6-10-18(11-7-16)21(27)5-3-2-4-17-8-12-19(13-9-17)25-22(28)14-20-15-29-23(24)26-20/h8*6-13,15,21,27H,2-5,14H2,1H3,(H2,24,26)(H,25,28)/t8*21-/m00000000/s1/i4D2,5D2,6D,7D,10D,11D,14D2,21D;2D2,5D2,6D,7D,10D,11D,14D2,21D;4D2,6D,7D,10D,11D,14D2,21D;4D2,5D2,6D,7D,10D,11D,14D2;2D2,6D,7D,10D,11D,14D2,21D;2D2,5D2,6D,7D,10D,11D,14D2;2D2,4D2,6D,7D,10D,11D,14D2;2D2,6D,7D,10D,11D,14D2
InChIKeySAVSAJMLKBXLID-IJIMTGIYSA-N
MW3354.92 g/mol
LogP37.29
Rot. Bonds72

About 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,2,2-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide

2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,2,2-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide (PubChem CID 160783153) has the molecular formula C184H216N24O16S8 and a molecular weight of 3354.92 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,2,2-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,2,2-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide
PubChem CID160783153
Molecular FormulaC184H216N24O16S8
Molecular Weight3354.92 g/mol
Exact Mass3351.95
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,2,2-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide
SMILES[2H]c1c([2H])c([C@@H](O)C([2H])([2H])CC([2H])([2H])Cc2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@H](O)C([2H])([2H])CCC([2H])([2H])c2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@H](O)CCC([2H])([2H])C([2H])([2H])c2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@H](O)CCC([2H])([2H])Cc2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@]([2H])(O)C([2H])([2H])CC([2H])([2H])Cc2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@]([2H])(O)C([2H])([2H])CCC([2H])([2H])c2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@]([2H])(O)CCC([2H])([2H])Cc2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@]([2H])(O)CCCC([2H])([2H])c2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C
InChIInChI=1S/8C23H27N3O2S/c8*1-16-6-10-18(11-7-16)21(27)5-3-2-4-17-8-12-19(13-9-17)25-22(28)14-20-15-29-23(24)26-20/h8*6-13,15,21,27H,2-5,14H2,1H3,(H2,24,26)(H,25,28)/t8*21-/m00000000/s1/i4D2,5D2,6D,7D,10D,11D,14D2,21D;2D2,5D2,6D,7D,10D,11D,14D2,21D;4D2,6D,7D,10D,11D,14D2,21D;4D2,5D2,6D,7D,10D,11D,14D2;2D2,6D,7D,10D,11D,14D2,21D;2D2,5D2,6D,7D,10D,11D,14D2;2D2,4D2,6D,7D,10D,11D,14D2;2D2,6D,7D,10D,11D,14D2
InChIKeySAVSAJMLKBXLID-IJIMTGIYSA-N
XLogP37.29
TPSA705.92 Ų
H-Bond Donors24
H-Bond Acceptors40
Rotatable Bonds72
Heavy Atoms232
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003354.92
LogP ≤ 537.29
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1040

Analyze 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,2,2-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide 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)-2,2-dideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,2,2-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,2,2-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide (CID 160783153) is 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,2,2-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,2,2-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,2,2-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide is [2H]c1c([2H])c([C@@H](O)C([2H])([2H])CC([2H])([2H])Cc2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@H](O)C([2H])([2H])CCC([2H])([2H])c2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@H](O)CCC([2H])([2H])C([2H])([2H])c2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@H](O)CCC([2H])([2H])Cc2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@]([2H])(O)C([2H])([2H])CC([2H])([2H])Cc2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@]([2H])(O)C([2H])([2H])CCC([2H])([2H])c2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@]([2H])(O)CCC([2H])([2H])Cc2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.[2H]c1c([2H])c([C@@]([2H])(O)CCCC([2H])([2H])c2ccc(NC(=O)C([2H])([2H])c3csc(N)n3)cc2)c([2H])c([2H])c1C.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,2,2-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide?
The InChIKey is SAVSAJMLKBXLID-IJIMTGIYSA-N. The full InChI is InChI=1S/8C23H27N3O2S/c8*1-16-6-10-18(11-7-16)21(27)5-3-2-4-17-8-12-19(13-9-17)25-22(28)14-20-15-29-23(24)26-20/h8*6-13,15,21,27H,2-5,14H2,1H3,(H2,24,26)(H,25,28)/t8*21-/m00000000/s1/i4D2,5D2,6D,7D,10D,11D,14D2,21D;2D2,5D2,6D,7D,10D,11D,14D2,21D;4D2,6D,7D,10D,11D,14D2,21D;4D2,5D2,6D,7D,10D,11D,14D2;2D2,6D,7D,10D,11D,14D2,21D;2D2,5D2,6D,7D,10D,11D,14D2;2D2,4D2,6D,7D,10D,11D,14D2;2D2,6D,7D,10D,11D,14D2.
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,2,2-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide?
2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,2,2-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide has a molecular weight of 3354.92 g/mol, XLogP of 37.29, 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)-2,2-dideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4,5-pentadeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,2,2-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,4,4-tetradeuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-1,1,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-2,2-dideuterio-N-[4-[(5S)-2,2,5-trideuterio-5-hydroxy-5-(2,3,5,6-tetradeuterio-4-methylphenyl)pentyl]phenyl]acetamide is sourced from PubChem (CID 160783153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).