N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;phosphanylphosphane;hydrochloride

C45H55ClN8O6P2S4 — CID 159437827

About N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;phosphanylphosphane;hydrochloride

N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;phosphanylphosphane;hydrochloride (PubChem CID 159437827) has the molecular formula C45H55ClN8O6P2S4 and a molecular weight of 1029.65 g/mol. Its IUPAC name is N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;phosphanylphosphane;hydrochloride.

Molecular Properties

• Compound Name: N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;phosphanylphosphane;hydrochloride
• PubChem CID: 159437827
• Molecular Formula: C45H55ClN8O6P2S4
• Molecular Weight: 1029.65 g/mol
• Exact Mass: 1028.23
• IUPAC Name: N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;phosphanylphosphane;hydrochloride
• SMILES: COc1ccc(CNc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(NC(=O)c3ccccc3)=N4)n2)c(OC)c1.C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@@]2(c2nc(N)cs2)CO1.Cl.PP
• InChI: InChI=1S/C27H30N4O4S2.C18H20N4O2S2.ClH.H4P2/c1-17-11-20-14-37-26(30-24(32)18-7-5-4-6-8-18)31-27(20,16-35-17)25-29-23(15-36-25)28-13-19-9-10-21(33-2)12-22(19)34-3;1-11-7-13-8-26-17(21-15(23)12-5-3-2-4-6-12)22-18(13,10-24-11)16-20-14(19)9-25-16;;1-2/h4-10,12,15,17,20,28H,11,13-14,16H2,1-3H3,(H,30,31,32);2-6,9,11,13H,7-8,10,19H2,1H3,(H,21,22,23);1H;1-2H2/t17-,20-,27-;11-,13-,18-;;/m00../s1
• InChIKey: ATYOFHPCPCZMAS-PAQDYVPISA-N
• XLogP: 8.88
• TPSA: 183.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1029.65
LogP ≤ 5	8.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;phosphanylphosphane;hydrochloride?

The IUPAC name of N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;phosphanylphosphane;hydrochloride (CID 159437827) is N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;phosphanylphosphane;hydrochloride.

What is the SMILES notation for N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;phosphanylphosphane;hydrochloride?

The canonical SMILES for N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;phosphanylphosphane;hydrochloride is COc1ccc(CNc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(NC(=O)c3ccccc3)=N4)n2)c(OC)c1.C[C@H]1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@@]2(c2nc(N)cs2)CO1.Cl.PP.

What is the InChIKey of N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;phosphanylphosphane;hydrochloride?

The InChIKey is ATYOFHPCPCZMAS-PAQDYVPISA-N. The full InChI is InChI=1S/C27H30N4O4S2.C18H20N4O2S2.ClH.H4P2/c1-17-11-20-14-37-26(30-24(32)18-7-5-4-6-8-18)31-27(20,16-35-17)25-29-23(15-36-25)28-13-19-9-10-21(33-2)12-22(19)34-3;1-11-7-13-8-26-17(21-15(23)12-5-3-2-4-6-12)22-18(13,10-24-11)16-20-14(19)9-25-16;;1-2/h4-10,12,15,17,20,28H,11,13-14,16H2,1-3H3,(H,30,31,32);2-6,9,11,13H,7-8,10,19H2,1H3,(H,21,22,23);1H;1-2H2/t17-,20-,27-;11-,13-,18-;;/m00../s1.

What are the key properties of N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;phosphanylphosphane;hydrochloride?

N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;phosphanylphosphane;hydrochloride has a molecular weight of 1029.65 g/mol, XLogP of 8.88, 9 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4aR,6S,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;N-[(4aR,6S,8aR)-8a-[4-[(2,4-dimethoxyphenyl)methylamino]-1,3-thiazol-2-yl]-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-2-yl]benzamide;phosphanylphosphane;hydrochloride is sourced from PubChem (CID 159437827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).