5-[(3aR,6S,6aS)-2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl]-N-(6-Aminopyridin-2-Yl)Pentanamide
[CAS# 153086-93-2]

Identification

• Name: 5-[(3aR,6S,6aS)-2-Oxo-1,3,3a,4,6,6a-Hexahydrothieno[3,4-d]Imidazol-6-Yl]-N-(6-Aminopyridin-2-Yl)Pentanamide
• Synonyms: 5-[(3Ar,6S,6As)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-N-(6-Amino-2-Pyridyl)Pentanamide; 5-[(3Ar,6S,6As)-2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl]-N-(6-Amino-2-Pyridyl)Valeramide; 1H-Thieno(3,4-D)Imidazole-4-Pentanamide, N-(6-Amino-2-Pyridinyl)Hexahydro-2-Oxo-, (3As-(3Aalpha,4Beta,6Aalpha))-
• Molecular Formula: C₁₅H₂₁N₅O₂S
• Molecular Weight: 335.42
• CAS Registry Number: 153086-93-2
• SMILES: [C@H]12NC(=O)N[C@H]1CS[C@H]2CCCCC(=O)NC3=NC(=CC=C3)N
• InChI: 1S/C15H21N5O2S/c16-11-5-3-6-12(18-11)19-13(21)7-2-1-4-10-14-9(8-23-10)17-15(22)20-14/h3,5-6,9-10,14H,1-2,4,7-8H2,(H2,17,20,22)(H3,16,18,19,21)/t9-,10-,14-/m0/s1
• InChIKey: HTVVZQSPJYVEDP-BHDSKKPTSA-N

Properties

• Density: 1.318g/cm³ (Cal.)
• Boiling point: 738.075°C at 760 mmHg (Cal.)
• Flash point: 400.174°C (Cal.)