6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[5-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-3-pyridinyl]acetyl]pyridine-3-carbonitrile;4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine

C161H144F7N31O11S8 — CID 159934392

IUPAC6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[5-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-3-pyridinyl]acetyl]pyridine-3-carbonitrile;4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine
SMILESC#CCOc1cnc(C(=O)Cc2ccc(F)c(C3(C)C=C(C)SC(N)=N3)c2)cn1.CC1(c2cc(N)ccc2F)C=C(c2ccccc2)SC(N)=N1.CC1(c2cc([N+](=O)[O-])ccc2F)C=C(c2ccccc2)SC(N)=N1.CC1=CC(C)(c2cc(CC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)S1.CC1=CC(C)(c2cncc(CC(=O)c3ccc(C#N)cn3)c2)N=C(N)S1.COc1cnc(C(=O)Cc2ccc(F)c(C3(C)C=C(C)SC(N)=N3)c2)cn1.COc1cnc(C(=O)Cc2ccc(F)c(C3(C)C=C(c4ccccc4)SC(N)=N3)c2)cn1.Cc1cnc(C(=O)Cc2ccc(F)c(C3(C)C=C(c4ccccc4)SC(N)=N3)c2)cn1
InChIInChI=1S/C24H21FN4O2S.C24H21FN4OS.C21H19FN4O2S.C20H17FN4OS.C19H19FN4O2S.C19H17N5OS.C17H14FN3O2S.C17H16FN3S/c1-24(12-21(32-23(26)29-24)16-6-4-3-5-7-16)17-10-15(8-9-18(17)25)11-20(30)19-13-28-22(31-2)14-27-19;1-15-13-28-20(14-27-15)21(30)11-16-8-9-19(25)18(10-16)24(2)12-22(31-23(26)29-24)17-6-4-3-5-7-17;1-4-7-28-19-12-24-17(11-25-19)18(27)9-14-5-6-16(22)15(8-14)21(3)10-13(2)29-20(23)26-21;1-12-9-20(2,25-19(23)27-12)15-7-13(3-5-16(15)21)8-18(26)17-6-4-14(10-22)11-24-17;1-11-8-19(2,24-18(21)27-11)13-6-12(4-5-14(13)20)7-16(25)15-9-23-17(26-3)10-22-15;1-12-7-19(2,24-18(21)26-12)15-5-14(9-22-11-15)6-17(25)16-4-3-13(8-20)10-23-16;1-17(13-9-12(21(22)23)7-8-14(13)18)10-15(24-16(19)20-17)11-5-3-2-4-6-11;1-17(13-9-12(19)7-8-14(13)18)10-15(22-16(20)21-17)11-5-3-2-4-6-11/h3-10,12-14H,11H2,1-2H3,(H2,26,29);3-10,12-14H,11H2,1-2H3,(H2,26,29);1,5-6,8,10-12H,7,9H2,2-3H3,(H2,23,26);3-7,9,11H,8H2,1-2H3,(H2,23,25);4-6,8-10H,7H2,1-3H3,(H2,21,24);3-5,7,9-11H,6H2,1-2H3,(H2,21,24);2-10H,1H3,(H2,19,20);2-10H,19H2,1H3,(H2,20,21)
InChIKeyOAAYBXHZHROTLH-UHFFFAOYSA-N
MW3078.65 g/mol
LogP29.93
Rot. Bonds35

About 6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[5-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-3-pyridinyl]acetyl]pyridine-3-carbonitrile;4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine

6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[5-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-3-pyridinyl]acetyl]pyridine-3-carbonitrile;4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine (PubChem CID 159934392) has the molecular formula C161H144F7N31O11S8 and a molecular weight of 3078.65 g/mol. Its IUPAC name is 6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[5-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-3-pyridinyl]acetyl]pyridine-3-carbonitrile;4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine.

Molecular Properties

Compound Name6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[5-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-3-pyridinyl]acetyl]pyridine-3-carbonitrile;4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine
PubChem CID159934392
Molecular FormulaC161H144F7N31O11S8
Molecular Weight3078.65 g/mol
Exact Mass3075.93
IUPAC Name6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[5-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-3-pyridinyl]acetyl]pyridine-3-carbonitrile;4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine
SMILESC#CCOc1cnc(C(=O)Cc2ccc(F)c(C3(C)C=C(C)SC(N)=N3)c2)cn1.CC1(c2cc(N)ccc2F)C=C(c2ccccc2)SC(N)=N1.CC1(c2cc([N+](=O)[O-])ccc2F)C=C(c2ccccc2)SC(N)=N1.CC1=CC(C)(c2cc(CC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)S1.CC1=CC(C)(c2cncc(CC(=O)c3ccc(C#N)cn3)c2)N=C(N)S1.COc1cnc(C(=O)Cc2ccc(F)c(C3(C)C=C(C)SC(N)=N3)c2)cn1.COc1cnc(C(=O)Cc2ccc(F)c(C3(C)C=C(c4ccccc4)SC(N)=N3)c2)cn1.Cc1cnc(C(=O)Cc2ccc(F)c(C3(C)C=C(c4ccccc4)SC(N)=N3)c2)cn1
InChIInChI=1S/C24H21FN4O2S.C24H21FN4OS.C21H19FN4O2S.C20H17FN4OS.C19H19FN4O2S.C19H17N5OS.C17H14FN3O2S.C17H16FN3S/c1-24(12-21(32-23(26)29-24)16-6-4-3-5-7-16)17-10-15(8-9-18(17)25)11-20(30)19-13-28-22(31-2)14-27-19;1-15-13-28-20(14-27-15)21(30)11-16-8-9-19(25)18(10-16)24(2)12-22(31-23(26)29-24)17-6-4-3-5-7-17;1-4-7-28-19-12-24-17(11-25-19)18(27)9-14-5-6-16(22)15(8-14)21(3)10-13(2)29-20(23)26-21;1-12-9-20(2,25-19(23)27-12)15-7-13(3-5-16(15)21)8-18(26)17-6-4-14(10-22)11-24-17;1-11-8-19(2,24-18(21)27-11)13-6-12(4-5-14(13)20)7-16(25)15-9-23-17(26-3)10-22-15;1-12-7-19(2,24-18(21)26-12)15-5-14(9-22-11-15)6-17(25)16-4-3-13(8-20)10-23-16;1-17(13-9-12(21(22)23)7-8-14(13)18)10-15(24-16(19)20-17)11-5-3-2-4-6-11;1-17(13-9-12(19)7-8-14(13)18)10-15(22-16(20)21-17)11-5-3-2-4-6-11/h3-10,12-14H,11H2,1-2H3,(H2,26,29);3-10,12-14H,11H2,1-2H3,(H2,26,29);1,5-6,8,10-12H,7,9H2,2-3H3,(H2,23,26);3-7,9,11H,8H2,1-2H3,(H2,23,25);4-6,8-10H,7H2,1-3H3,(H2,21,24);3-5,7,9-11H,6H2,1-2H3,(H2,21,24);2-10H,1H3,(H2,19,20);2-10H,19H2,1H3,(H2,20,21)
InChIKeyOAAYBXHZHROTLH-UHFFFAOYSA-N
XLogP29.93
TPSA695.68 Ų
H-Bond Donors9
H-Bond Acceptors49
Rotatable Bonds35
Heavy Atoms218
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003078.65
LogP ≤ 529.93
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[5-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-3-pyridinyl]acetyl]pyridine-3-carbonitrile;4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[5-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-3-pyridinyl]acetyl]pyridine-3-carbonitrile;4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine?
The IUPAC name of 6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[5-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-3-pyridinyl]acetyl]pyridine-3-carbonitrile;4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine (CID 159934392) is 6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[5-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-3-pyridinyl]acetyl]pyridine-3-carbonitrile;4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine.
What is the SMILES notation for 6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[5-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-3-pyridinyl]acetyl]pyridine-3-carbonitrile;4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine?
The canonical SMILES for 6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[5-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-3-pyridinyl]acetyl]pyridine-3-carbonitrile;4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine is C#CCOc1cnc(C(=O)Cc2ccc(F)c(C3(C)C=C(C)SC(N)=N3)c2)cn1.CC1(c2cc(N)ccc2F)C=C(c2ccccc2)SC(N)=N1.CC1(c2cc([N+](=O)[O-])ccc2F)C=C(c2ccccc2)SC(N)=N1.CC1=CC(C)(c2cc(CC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)S1.CC1=CC(C)(c2cncc(CC(=O)c3ccc(C#N)cn3)c2)N=C(N)S1.COc1cnc(C(=O)Cc2ccc(F)c(C3(C)C=C(C)SC(N)=N3)c2)cn1.COc1cnc(C(=O)Cc2ccc(F)c(C3(C)C=C(c4ccccc4)SC(N)=N3)c2)cn1.Cc1cnc(C(=O)Cc2ccc(F)c(C3(C)C=C(c4ccccc4)SC(N)=N3)c2)cn1.
What is the InChIKey of 6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[5-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-3-pyridinyl]acetyl]pyridine-3-carbonitrile;4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine?
The InChIKey is OAAYBXHZHROTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2S.C24H21FN4OS.C21H19FN4O2S.C20H17FN4OS.C19H19FN4O2S.C19H17N5OS.C17H14FN3O2S.C17H16FN3S/c1-24(12-21(32-23(26)29-24)16-6-4-3-5-7-16)17-10-15(8-9-18(17)25)11-20(30)19-13-28-22(31-2)14-27-19;1-15-13-28-20(14-27-15)21(30)11-16-8-9-19(25)18(10-16)24(2)12-22(31-23(26)29-24)17-6-4-3-5-7-17;1-4-7-28-19-12-24-17(11-25-19)18(27)9-14-5-6-16(22)15(8-14)21(3)10-13(2)29-20(23)26-21;1-12-9-20(2,25-19(23)27-12)15-7-13(3-5-16(15)21)8-18(26)17-6-4-14(10-22)11-24-17;1-11-8-19(2,24-18(21)27-11)13-6-12(4-5-14(13)20)7-16(25)15-9-23-17(26-3)10-22-15;1-12-7-19(2,24-18(21)26-12)15-5-14(9-22-11-15)6-17(25)16-4-3-13(8-20)10-23-16;1-17(13-9-12(21(22)23)7-8-14(13)18)10-15(24-16(19)20-17)11-5-3-2-4-6-11;1-17(13-9-12(19)7-8-14(13)18)10-15(22-16(20)21-17)11-5-3-2-4-6-11/h3-10,12-14H,11H2,1-2H3,(H2,26,29);3-10,12-14H,11H2,1-2H3,(H2,26,29);1,5-6,8,10-12H,7,9H2,2-3H3,(H2,23,26);3-7,9,11H,8H2,1-2H3,(H2,23,25);4-6,8-10H,7H2,1-3H3,(H2,21,24);3-5,7,9-11H,6H2,1-2H3,(H2,21,24);2-10H,1H3,(H2,19,20);2-10H,19H2,1H3,(H2,20,21).
What are the key properties of 6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[5-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-3-pyridinyl]acetyl]pyridine-3-carbonitrile;4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine?
6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[5-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-3-pyridinyl]acetyl]pyridine-3-carbonitrile;4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine has a molecular weight of 3078.65 g/mol, XLogP of 29.93, 35 rotatable bonds, 9 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[5-(2-amino-4,6-dimethyl-1,3-thiazin-4-yl)-3-pyridinyl]acetyl]pyridine-3-carbonitrile;4-(5-amino-2-fluorophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-(2-amino-4-methyl-6-phenyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-methylpyrazin-2-yl)ethanone;4-(2-fluoro-5-nitrophenyl)-4-methyl-6-phenyl-1,3-thiazin-2-amine is sourced from PubChem (CID 159934392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).