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

C93H120N12O8S4 — CID 159058119

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

2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane (PubChem CID 159058119) has the molecular formula C93H120N12O8S4 and a molecular weight of 1670.38 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane.

Molecular Properties

• Compound Name: 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane
• PubChem CID: 159058119
• Molecular Formula: C93H120N12O8S4
• Molecular Weight: 1670.38 g/mol
• Exact Mass: 1668.87
• IUPAC Name: 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane
• SMILES: C.C.C.C.C.[2H]C([2H])(CCCc1ccc(NC(=O)Cc2csc(N)n2)cc1)[C@H](O)c1ccccc1.[2H]C([2H])(CCCc1ccc(NC(=O)Cc2csc(N)n2)cc1)[C@]([2H])(O)c1ccccc1.[2H]C([2H])(CC[C@H](O)c1ccccc1)Cc1ccc(NC(=O)Cc2csc(N)n2)cc1.[2H][C@@](O)(CCCCc1ccc(NC(=O)Cc2csc(N)n2)cc1)c1ccccc1
• InChI: InChI=1S/4C22H25N3O2S.5CH4/c4*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;;;;;/h4*1-3,7-8,10-13,15,20,26H,4-6,9,14H2,(H2,23,25)(H,24,27);5*1H4/t4*20-;;;;;/m1000...../s1/i20D;9D2,20D;9D2;4D2
• InChIKey: JYCQKZSDJOULKM-PXAOAYABSA-N
• XLogP: 20.59
• TPSA: 352.96 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 36
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1670.38
LogP ≤ 5	20.59
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane?

The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane (CID 159058119) is 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane.

What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane?

The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane is C.C.C.C.C.[2H]C([2H])(CCCc1ccc(NC(=O)Cc2csc(N)n2)cc1)[C@H](O)c1ccccc1.[2H]C([2H])(CCCc1ccc(NC(=O)Cc2csc(N)n2)cc1)[C@]([2H])(O)c1ccccc1.[2H]C([2H])(CC[C@H](O)c1ccccc1)Cc1ccc(NC(=O)Cc2csc(N)n2)cc1.[2H][C@@](O)(CCCCc1ccc(NC(=O)Cc2csc(N)n2)cc1)c1ccccc1.

What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane?

The InChIKey is JYCQKZSDJOULKM-PXAOAYABSA-N. The full InChI is InChI=1S/4C22H25N3O2S.5CH4/c4*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;;;;;/h4*1-3,7-8,10-13,15,20,26H,4-6,9,14H2,(H2,23,25)(H,24,27);5*1H4/t4*20-;;;;;/m1000...../s1/i20D;9D2,20D;9D2;4D2;;;;;.

What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane?

2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane has a molecular weight of 1670.38 g/mol, XLogP of 20.59, 36 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-5-deuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-2,2-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4-dideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;2-(2-amino-1,3-thiazol-4-yl)-N-[4-[(5S)-4,4,5-trideuterio-5-hydroxy-5-phenylpentyl]phenyl]acetamide;methane is sourced from PubChem (CID 159058119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).