1-(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)ethanone;ethyl 2-acetyl-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-4-carboxylate

C100H100N16O9S7 — CID 160797838

About 1-(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)ethanone;ethyl 2-acetyl-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-4-carboxylate

1-(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)ethanone;ethyl 2-acetyl-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-4-carboxylate (PubChem CID 160797838) has the molecular formula C100H100N16O9S7 and a molecular weight of 1894.47 g/mol. Its IUPAC name is 1-(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)ethanone;ethyl 2-acetyl-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-4-carboxylate.

Molecular Properties

• Compound Name: 1-(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)ethanone;ethyl 2-acetyl-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-4-carboxylate
• PubChem CID: 160797838
• Molecular Formula: C100H100N16O9S7
• Molecular Weight: 1894.47 g/mol
• Exact Mass: 1892.59
• IUPAC Name: 1-(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)ethanone;ethyl 2-acetyl-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-4-carboxylate
• SMILES: CC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)c2c1N.CC(=O)c1sc2nc(C)c(C)cc2c1N.CC(=O)c1sc2nc3c(cc2c1N)CCC3.CC(=O)c1sc2nc3c(cc2c1N)CCCC3.CC(=O)c1sc2nccc(N(C)C)c2c1N.CC(=O)c1sc2nccc(Nc3ccccc3)c2c1N.CCOC(=O)c1c2c(nc3sc(C(C)=O)c(N)c13)CCCC2
• InChI: InChI=1S/C22H18N2OS.C16H18N2O3S.C15H13N3OS.C13H14N2OS.C12H12N2OS.C11H13N3OS.C11H12N2OS/c1-13-8-10-15(11-9-13)17-12-18(16-6-4-3-5-7-16)24-22-19(17)20(23)21(26-22)14(2)25;1-3-21-16(20)11-9-6-4-5-7-10(9)18-15-12(11)13(17)14(22-15)8(2)19;1-9(19)14-13(16)12-11(7-8-17-15(12)20-14)18-10-5-3-2-4-6-10;1-7(16)12-11(14)9-6-8-4-2-3-5-10(8)15-13(9)17-12;1-6(15)11-10(13)8-5-7-3-2-4-9(7)14-12(8)16-11;1-6(15)10-9(12)8-7(14(2)3)4-5-13-11(8)16-10;1-5-4-8-9(12)10(7(3)14)15-11(8)13-6(5)2/h3-12H,23H2,1-2H3;3-7,17H2,1-2H3;2-8H,16H2,1H3,(H,17,18);6H,2-5,14H2,1H3;5H,2-4,13H2,1H3;4-5H,12H2,1-3H3;4H,12H2,1-3H3
• InChIKey: SCRBVZORLIQTSN-UHFFFAOYSA-N
• XLogP: 23.06
• TPSA: 433.43 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1894.47
LogP ≤ 5	23.06
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)ethanone;ethyl 2-acetyl-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-4-carboxylate?

The IUPAC name of 1-(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)ethanone;ethyl 2-acetyl-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-4-carboxylate (CID 160797838) is 1-(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)ethanone;ethyl 2-acetyl-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-4-carboxylate.

What is the SMILES notation for 1-(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)ethanone;ethyl 2-acetyl-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-4-carboxylate?

The canonical SMILES for 1-(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)ethanone;ethyl 2-acetyl-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-4-carboxylate is CC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)c2c1N.CC(=O)c1sc2nc(C)c(C)cc2c1N.CC(=O)c1sc2nc3c(cc2c1N)CCC3.CC(=O)c1sc2nc3c(cc2c1N)CCCC3.CC(=O)c1sc2nccc(N(C)C)c2c1N.CC(=O)c1sc2nccc(Nc3ccccc3)c2c1N.CCOC(=O)c1c2c(nc3sc(C(C)=O)c(N)c13)CCCC2.

What is the InChIKey of 1-(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)ethanone;ethyl 2-acetyl-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-4-carboxylate?

The InChIKey is SCRBVZORLIQTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS.C16H18N2O3S.C15H13N3OS.C13H14N2OS.C12H12N2OS.C11H13N3OS.C11H12N2OS/c1-13-8-10-15(11-9-13)17-12-18(16-6-4-3-5-7-16)24-22-19(17)20(23)21(26-22)14(2)25;1-3-21-16(20)11-9-6-4-5-7-10(9)18-15-12(11)13(17)14(22-15)8(2)19;1-9(19)14-13(16)12-11(7-8-17-15(12)20-14)18-10-5-3-2-4-6-10;1-7(16)12-11(14)9-6-8-4-2-3-5-10(8)15-13(9)17-12;1-6(15)11-10(13)8-5-7-3-2-4-9(7)14-12(8)16-11;1-6(15)10-9(12)8-7(14(2)3)4-5-13-11(8)16-10;1-5-4-8-9(12)10(7(3)14)15-11(8)13-6(5)2/h3-12H,23H2,1-2H3;3-7,17H2,1-2H3;2-8H,16H2,1H3,(H,17,18);6H,2-5,14H2,1H3;5H,2-4,13H2,1H3;4-5H,12H2,1-3H3;4H,12H2,1-3H3.

What are the key properties of 1-(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)ethanone;ethyl 2-acetyl-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-4-carboxylate?

1-(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)ethanone;ethyl 2-acetyl-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-4-carboxylate has a molecular weight of 1894.47 g/mol, XLogP of 23.06, 14 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-amino-4-anilinothieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(dimethylamino)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6-dimethylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraen-5-yl)ethanone;ethyl 2-acetyl-3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-4-carboxylate is sourced from PubChem (CID 160797838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).