N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;6-(bromomethyl)thieno[2,3-b]pyrazine;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(thieno[2,3-b]pyrazin-6-ylmethylamino)phenyl]benzamide;ethyl thieno[2,3-b]pyrazine-6-carboxylate;thieno[2,3-b]pyrazine-6-carboxylic acid;thieno[2,3-b]pyrazin-6-ylmethanol;hydrochloride

C73H66BrClN16O7S5 — CID 161475976

About N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;6-(bromomethyl)thieno[2,3-b]pyrazine;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(thieno[2,3-b]pyrazin-6-ylmethylamino)phenyl]benzamide;ethyl thieno[2,3-b]pyrazine-6-carboxylate;thieno[2,3-b]pyrazine-6-carboxylic acid;thieno[2,3-b]pyrazin-6-ylmethanol;hydrochloride

N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;6-(bromomethyl)thieno[2,3-b]pyrazine;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(thieno[2,3-b]pyrazin-6-ylmethylamino)phenyl]benzamide;ethyl thieno[2,3-b]pyrazine-6-carboxylate;thieno[2,3-b]pyrazine-6-carboxylic acid;thieno[2,3-b]pyrazin-6-ylmethanol;hydrochloride (PubChem CID 161475976) has the molecular formula C73H66BrClN16O7S5 and a molecular weight of 1555.13 g/mol. Its IUPAC name is N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;6-(bromomethyl)thieno[2,3-b]pyrazine;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(thieno[2,3-b]pyrazin-6-ylmethylamino)phenyl]benzamide;ethyl thieno[2,3-b]pyrazine-6-carboxylate;thieno[2,3-b]pyrazine-6-carboxylic acid;thieno[2,3-b]pyrazin-6-ylmethanol;hydrochloride.

Molecular Properties

• Compound Name: N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;6-(bromomethyl)thieno[2,3-b]pyrazine;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(thieno[2,3-b]pyrazin-6-ylmethylamino)phenyl]benzamide;ethyl thieno[2,3-b]pyrazine-6-carboxylate;thieno[2,3-b]pyrazine-6-carboxylic acid;thieno[2,3-b]pyrazin-6-ylmethanol;hydrochloride
• PubChem CID: 161475976
• Molecular Formula: C73H66BrClN16O7S5
• Molecular Weight: 1555.13 g/mol
• Exact Mass: 1552.28
• IUPAC Name: N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;6-(bromomethyl)thieno[2,3-b]pyrazine;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(thieno[2,3-b]pyrazin-6-ylmethylamino)phenyl]benzamide;ethyl thieno[2,3-b]pyrazine-6-carboxylate;thieno[2,3-b]pyrazine-6-carboxylic acid;thieno[2,3-b]pyrazin-6-ylmethanol;hydrochloride
• SMILES: BrCc1cc2nccnc2s1.CCOC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1N.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NCc1cc2nccnc2s1.Cl.O=C(O)c1cc2nccnc2s1.OCc1cc2nccnc2s1
• InChI: InChI=1S/C25H23N5OS.C18H19N3O.C9H8N2O2S.C7H5BrN2S.C7H4N2O2S.C7H6N2OS.ClH/c1-16-7-8-19(30-23(31)17-5-4-6-18(11-17)25(2,3)15-26)12-21(16)29-14-20-13-22-24(32-20)28-10-9-27-22;1-12-7-8-15(10-16(12)20)21-17(22)13-5-4-6-14(9-13)18(2,3)11-19;1-2-13-9(12)7-5-6-8(14-7)11-4-3-10-6;8-4-5-3-6-7(11-5)10-2-1-9-6;10-7(11)5-3-4-6(12-5)9-2-1-8-4;10-4-5-3-6-7(11-5)9-2-1-8-6;/h4-13,29H,14H2,1-3H3,(H,30,31);4-10H,20H2,1-3H3,(H,21,22);3-5H,2H2,1H3;1-3H,4H2;1-3H,(H,10,11);1-3,10H,4H2;1H
• InChIKey: RGFDXDNKTYNMCU-UHFFFAOYSA-N
• XLogP: 16.75
• TPSA: 356.56 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1555.13
LogP ≤ 5	16.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;6-(bromomethyl)thieno[2,3-b]pyrazine;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(thieno[2,3-b]pyrazin-6-ylmethylamino)phenyl]benzamide;ethyl thieno[2,3-b]pyrazine-6-carboxylate;thieno[2,3-b]pyrazine-6-carboxylic acid;thieno[2,3-b]pyrazin-6-ylmethanol;hydrochloride?

The IUPAC name of N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;6-(bromomethyl)thieno[2,3-b]pyrazine;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(thieno[2,3-b]pyrazin-6-ylmethylamino)phenyl]benzamide;ethyl thieno[2,3-b]pyrazine-6-carboxylate;thieno[2,3-b]pyrazine-6-carboxylic acid;thieno[2,3-b]pyrazin-6-ylmethanol;hydrochloride (CID 161475976) is N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;6-(bromomethyl)thieno[2,3-b]pyrazine;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(thieno[2,3-b]pyrazin-6-ylmethylamino)phenyl]benzamide;ethyl thieno[2,3-b]pyrazine-6-carboxylate;thieno[2,3-b]pyrazine-6-carboxylic acid;thieno[2,3-b]pyrazin-6-ylmethanol;hydrochloride.

What is the SMILES notation for N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;6-(bromomethyl)thieno[2,3-b]pyrazine;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(thieno[2,3-b]pyrazin-6-ylmethylamino)phenyl]benzamide;ethyl thieno[2,3-b]pyrazine-6-carboxylate;thieno[2,3-b]pyrazine-6-carboxylic acid;thieno[2,3-b]pyrazin-6-ylmethanol;hydrochloride?

The canonical SMILES for N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;6-(bromomethyl)thieno[2,3-b]pyrazine;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(thieno[2,3-b]pyrazin-6-ylmethylamino)phenyl]benzamide;ethyl thieno[2,3-b]pyrazine-6-carboxylate;thieno[2,3-b]pyrazine-6-carboxylic acid;thieno[2,3-b]pyrazin-6-ylmethanol;hydrochloride is BrCc1cc2nccnc2s1.CCOC(=O)c1cc2nccnc2s1.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1N.Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1NCc1cc2nccnc2s1.Cl.O=C(O)c1cc2nccnc2s1.OCc1cc2nccnc2s1.

What is the InChIKey of N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;6-(bromomethyl)thieno[2,3-b]pyrazine;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(thieno[2,3-b]pyrazin-6-ylmethylamino)phenyl]benzamide;ethyl thieno[2,3-b]pyrazine-6-carboxylate;thieno[2,3-b]pyrazine-6-carboxylic acid;thieno[2,3-b]pyrazin-6-ylmethanol;hydrochloride?

The InChIKey is RGFDXDNKTYNMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5OS.C18H19N3O.C9H8N2O2S.C7H5BrN2S.C7H4N2O2S.C7H6N2OS.ClH/c1-16-7-8-19(30-23(31)17-5-4-6-18(11-17)25(2,3)15-26)12-21(16)29-14-20-13-22-24(32-20)28-10-9-27-22;1-12-7-8-15(10-16(12)20)21-17(22)13-5-4-6-14(9-13)18(2,3)11-19;1-2-13-9(12)7-5-6-8(14-7)11-4-3-10-6;8-4-5-3-6-7(11-5)10-2-1-9-6;10-7(11)5-3-4-6(12-5)9-2-1-8-4;10-4-5-3-6-7(11-5)9-2-1-8-6;/h4-13,29H,14H2,1-3H3,(H,30,31);4-10H,20H2,1-3H3,(H,21,22);3-5H,2H2,1H3;1-3H,4H2;1-3H,(H,10,11);1-3,10H,4H2;1H.

What are the key properties of N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;6-(bromomethyl)thieno[2,3-b]pyrazine;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(thieno[2,3-b]pyrazin-6-ylmethylamino)phenyl]benzamide;ethyl thieno[2,3-b]pyrazine-6-carboxylate;thieno[2,3-b]pyrazine-6-carboxylic acid;thieno[2,3-b]pyrazin-6-ylmethanol;hydrochloride?

N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;6-(bromomethyl)thieno[2,3-b]pyrazine;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(thieno[2,3-b]pyrazin-6-ylmethylamino)phenyl]benzamide;ethyl thieno[2,3-b]pyrazine-6-carboxylate;thieno[2,3-b]pyrazine-6-carboxylic acid;thieno[2,3-b]pyrazin-6-ylmethanol;hydrochloride has a molecular weight of 1555.13 g/mol, XLogP of 16.75, 14 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-amino-4-methylphenyl)-3-(2-cyanopropan-2-yl)benzamide;6-(bromomethyl)thieno[2,3-b]pyrazine;3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(thieno[2,3-b]pyrazin-6-ylmethylamino)phenyl]benzamide;ethyl thieno[2,3-b]pyrazine-6-carboxylate;thieno[2,3-b]pyrazine-6-carboxylic acid;thieno[2,3-b]pyrazin-6-ylmethanol;hydrochloride is sourced from PubChem (CID 161475976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).