6-[2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(2-methyl-1,3-oxazol-4-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone

C110H97ClF6N22O9S6 — CID 157131899

About 6-[2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(2-methyl-1,3-oxazol-4-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone

6-[2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(2-methyl-1,3-oxazol-4-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone (PubChem CID 157131899) has the molecular formula C110H97ClF6N22O9S6 and a molecular weight of 2212.97 g/mol. Its IUPAC name is 6-[2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(2-methyl-1,3-oxazol-4-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone.

Molecular Properties

• Compound Name: 6-[2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(2-methyl-1,3-oxazol-4-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone
• PubChem CID: 157131899
• Molecular Formula: C110H97ClF6N22O9S6
• Molecular Weight: 2212.97 g/mol
• Exact Mass: 2210.57
• IUPAC Name: 6-[2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(2-methyl-1,3-oxazol-4-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone
• SMILES: C#CCOc1cnc(C(=O)Cc2ccc(F)c([C@]3(C)C=CSC(N)=N3)c2)cn1.COc1cnc(C(=O)Cc2ccc(F)c([C@]3(C)C=CSC(N)=N3)c2)cn1.C[C@@]1(c2cc(CC(=O)c3ccc(C#N)cn3)ccc2F)C=CSC(N)=N1.C[C@@]1(c2cc(CC(=O)c3ccc(Cl)cn3)ccc2F)C=CSC(N)=N1.Cc1cnc(C(=O)Cc2ccc(F)c([C@]3(C)C=CSC(N)=N3)c2)cn1.Cc1nc(C(=O)Cc2ccc(F)c([C@]3(C)C=CSC(N)=N3)c2)co1
• InChI: InChI=1S/C20H17FN4O2S.C19H15FN4OS.C18H15ClFN3OS.C18H17FN4O2S.C18H17FN4OS.C17H16FN3O2S/c1-3-7-27-18-12-23-16(11-24-18)17(26)10-13-4-5-15(21)14(9-13)20(2)6-8-28-19(22)25-20;1-19(6-7-26-18(22)24-19)14-8-12(2-4-15(14)20)9-17(25)16-5-3-13(10-21)11-23-16;1-18(6-7-25-17(21)23-18)13-8-11(2-4-14(13)20)9-16(24)15-5-3-12(19)10-22-15;1-18(5-6-26-17(20)23-18)12-7-11(3-4-13(12)19)8-15(24)14-9-22-16(25-2)10-21-14;1-11-9-22-15(10-21-11)16(24)8-12-3-4-14(19)13(7-12)18(2)5-6-25-17(20)23-18;1-10-20-14(9-23-10)15(22)8-11-3-4-13(18)12(7-11)17(2)5-6-24-16(19)21-17/h1,4-6,8-9,11-12H,7,10H2,2H3,(H2,22,25);2-8,11H,9H2,1H3,(H2,22,24);2-8,10H,9H2,1H3,(H2,21,23);3-7,9-10H,8H2,1-2H3,(H2,20,23);3-7,9-10H,8H2,1-2H3,(H2,20,23);3-7,9H,8H2,1-2H3,(H2,19,21)/t20-;19-;3*18-;17-/m000000/s1
• InChIKey: AJECLKAIBNBBGF-GCAAUWNTSA-N
• XLogP: 19.56
• TPSA: 504.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 27
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2212.97
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(2-methyl-1,3-oxazol-4-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone?

The IUPAC name of 6-[2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(2-methyl-1,3-oxazol-4-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone (CID 157131899) is 6-[2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(2-methyl-1,3-oxazol-4-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone.

What is the SMILES notation for 6-[2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(2-methyl-1,3-oxazol-4-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone?

The canonical SMILES for 6-[2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(2-methyl-1,3-oxazol-4-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone is C#CCOc1cnc(C(=O)Cc2ccc(F)c([C@]3(C)C=CSC(N)=N3)c2)cn1.COc1cnc(C(=O)Cc2ccc(F)c([C@]3(C)C=CSC(N)=N3)c2)cn1.C[C@@]1(c2cc(CC(=O)c3ccc(C#N)cn3)ccc2F)C=CSC(N)=N1.C[C@@]1(c2cc(CC(=O)c3ccc(Cl)cn3)ccc2F)C=CSC(N)=N1.Cc1cnc(C(=O)Cc2ccc(F)c([C@]3(C)C=CSC(N)=N3)c2)cn1.Cc1nc(C(=O)Cc2ccc(F)c([C@]3(C)C=CSC(N)=N3)c2)co1.

What is the InChIKey of 6-[2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(2-methyl-1,3-oxazol-4-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone?

The InChIKey is AJECLKAIBNBBGF-GCAAUWNTSA-N. The full InChI is InChI=1S/C20H17FN4O2S.C19H15FN4OS.C18H15ClFN3OS.C18H17FN4O2S.C18H17FN4OS.C17H16FN3O2S/c1-3-7-27-18-12-23-16(11-24-18)17(26)10-13-4-5-15(21)14(9-13)20(2)6-8-28-19(22)25-20;1-19(6-7-26-18(22)24-19)14-8-12(2-4-15(14)20)9-17(25)16-5-3-13(10-21)11-23-16;1-18(6-7-25-17(21)23-18)13-8-11(2-4-14(13)20)9-16(24)15-5-3-12(19)10-22-15;1-18(5-6-26-17(20)23-18)12-7-11(3-4-13(12)19)8-15(24)14-9-22-16(25-2)10-21-14;1-11-9-22-15(10-21-11)16(24)8-12-3-4-14(19)13(7-12)18(2)5-6-25-17(20)23-18;1-10-20-14(9-23-10)15(22)8-11-3-4-13(18)12(7-11)17(2)5-6-24-16(19)21-17/h1,4-6,8-9,11-12H,7,10H2,2H3,(H2,22,25);2-8,11H,9H2,1H3,(H2,22,24);2-8,10H,9H2,1H3,(H2,21,23);3-7,9-10H,8H2,1-2H3,(H2,20,23);3-7,9-10H,8H2,1-2H3,(H2,20,23);3-7,9H,8H2,1-2H3,(H2,19,21)/t20-;19-;3*18-;17-/m000000/s1.

What are the key properties of 6-[2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(2-methyl-1,3-oxazol-4-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone?

6-[2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(2-methyl-1,3-oxazol-4-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone has a molecular weight of 2212.97 g/mol, XLogP of 19.56, 27 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(2-methyl-1,3-oxazol-4-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;2-[3-[(4S)-2-amino-4-methyl-1,3-thiazin-4-yl]-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone is sourced from PubChem (CID 157131899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).