1-[3-amino-6-benzyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-6-(4-fluorophenyl)-5-methylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(3-aminothieno[2,3-b]quinolin-2-yl)ethanone;ethyl 2-acetyl-3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate

C114H104F4N14O10S7 — CID 159020922

About 1-[3-amino-6-benzyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-6-(4-fluorophenyl)-5-methylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(3-aminothieno[2,3-b]quinolin-2-yl)ethanone;ethyl 2-acetyl-3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate

1-[3-amino-6-benzyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-6-(4-fluorophenyl)-5-methylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(3-aminothieno[2,3-b]quinolin-2-yl)ethanone;ethyl 2-acetyl-3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate (PubChem CID 159020922) has the molecular formula C114H104F4N14O10S7 and a molecular weight of 2130.63 g/mol. Its IUPAC name is 1-[3-amino-6-benzyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-6-(4-fluorophenyl)-5-methylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(3-aminothieno[2,3-b]quinolin-2-yl)ethanone;ethyl 2-acetyl-3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: 1-[3-amino-6-benzyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-6-(4-fluorophenyl)-5-methylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(3-aminothieno[2,3-b]quinolin-2-yl)ethanone;ethyl 2-acetyl-3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate
• PubChem CID: 159020922
• Molecular Formula: C114H104F4N14O10S7
• Molecular Weight: 2130.63 g/mol
• Exact Mass: 2128.60
• IUPAC Name: 1-[3-amino-6-benzyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-6-(4-fluorophenyl)-5-methylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(3-aminothieno[2,3-b]quinolin-2-yl)ethanone;ethyl 2-acetyl-3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate
• SMILES: CC(=O)c1sc2nc(-c3ccc(F)cc3)c(C)cc2c1N.CC(=O)c1sc2nc(Cc3ccccc3)cc(C(F)(F)F)c2c1N.CC(=O)c1sc2nc3c(cc2c1N)CC(C)CC3.CC(=O)c1sc2nc3ccccc3cc2c1N.CCCCc1ccc2c(N)c(C(C)=O)sc2n1.CCOC(=O)c1c(C)nc2sc(C(C)=O)c(N)c2c1-c1ccccc1.COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(C)=O)c(N)c23)cc1
• InChI: InChI=1S/C22H18N2O2S.C19H18N2O3S.C17H13F3N2OS.C16H13FN2OS.C14H16N2OS.C13H10N2OS.C13H16N2OS/c1-13(25)21-20(23)19-17(14-8-10-16(26-2)11-9-14)12-18(24-22(19)27-21)15-6-4-3-5-7-15;1-4-24-19(23)13-10(2)21-18-15(16(20)17(25-18)11(3)22)14(13)12-8-6-5-7-9-12;1-9(23)15-14(21)13-12(17(18,19)20)8-11(22-16(13)24-15)7-10-5-3-2-4-6-10;1-8-7-12-13(18)15(9(2)20)21-16(12)19-14(8)10-3-5-11(17)6-4-10;1-7-3-4-11-9(5-7)6-10-12(15)13(8(2)17)18-14(10)16-11;1-7(16)12-11(14)9-6-8-4-2-3-5-10(8)15-13(9)17-12;1-3-4-5-9-6-7-10-11(14)12(8(2)16)17-13(10)15-9/h3-12H,23H2,1-2H3;5-9H,4,20H2,1-3H3;2-6,8H,7,21H2,1H3;3-7H,18H2,1-2H3;6-7H,3-5,15H2,1-2H3;2-6H,14H2,1H3;6-7H,3-5,14H2,1-2H3
• InChIKey: JTRLNTDZBBLFRR-UHFFFAOYSA-N
• XLogP: 28.41
• TPSA: 427.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2130.63
LogP ≤ 5	28.41
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-benzyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-6-(4-fluorophenyl)-5-methylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(3-aminothieno[2,3-b]quinolin-2-yl)ethanone;ethyl 2-acetyl-3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate?

The IUPAC name of 1-[3-amino-6-benzyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-6-(4-fluorophenyl)-5-methylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(3-aminothieno[2,3-b]quinolin-2-yl)ethanone;ethyl 2-acetyl-3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate (CID 159020922) is 1-[3-amino-6-benzyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-6-(4-fluorophenyl)-5-methylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(3-aminothieno[2,3-b]quinolin-2-yl)ethanone;ethyl 2-acetyl-3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate.

What is the SMILES notation for 1-[3-amino-6-benzyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-6-(4-fluorophenyl)-5-methylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(3-aminothieno[2,3-b]quinolin-2-yl)ethanone;ethyl 2-acetyl-3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate?

The canonical SMILES for 1-[3-amino-6-benzyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-6-(4-fluorophenyl)-5-methylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(3-aminothieno[2,3-b]quinolin-2-yl)ethanone;ethyl 2-acetyl-3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate is CC(=O)c1sc2nc(-c3ccc(F)cc3)c(C)cc2c1N.CC(=O)c1sc2nc(Cc3ccccc3)cc(C(F)(F)F)c2c1N.CC(=O)c1sc2nc3c(cc2c1N)CC(C)CC3.CC(=O)c1sc2nc3ccccc3cc2c1N.CCCCc1ccc2c(N)c(C(C)=O)sc2n1.CCOC(=O)c1c(C)nc2sc(C(C)=O)c(N)c2c1-c1ccccc1.COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(C)=O)c(N)c23)cc1.

What is the InChIKey of 1-[3-amino-6-benzyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-6-(4-fluorophenyl)-5-methylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(3-aminothieno[2,3-b]quinolin-2-yl)ethanone;ethyl 2-acetyl-3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate?

The InChIKey is JTRLNTDZBBLFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S.C19H18N2O3S.C17H13F3N2OS.C16H13FN2OS.C14H16N2OS.C13H10N2OS.C13H16N2OS/c1-13(25)21-20(23)19-17(14-8-10-16(26-2)11-9-14)12-18(24-22(19)27-21)15-6-4-3-5-7-15;1-4-24-19(23)13-10(2)21-18-15(16(20)17(25-18)11(3)22)14(13)12-8-6-5-7-9-12;1-9(23)15-14(21)13-12(17(18,19)20)8-11(22-16(13)24-15)7-10-5-3-2-4-6-10;1-8-7-12-13(18)15(9(2)20)21-16(12)19-14(8)10-3-5-11(17)6-4-10;1-7-3-4-11-9(5-7)6-10-12(15)13(8(2)17)18-14(10)16-11;1-7(16)12-11(14)9-6-8-4-2-3-5-10(8)15-13(9)17-12;1-3-4-5-9-6-7-10-11(14)12(8(2)16)17-13(10)15-9/h3-12H,23H2,1-2H3;5-9H,4,20H2,1-3H3;2-6,8H,7,21H2,1H3;3-7H,18H2,1-2H3;6-7H,3-5,15H2,1-2H3;2-6H,14H2,1H3;6-7H,3-5,14H2,1-2H3.

What are the key properties of 1-[3-amino-6-benzyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-6-(4-fluorophenyl)-5-methylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(3-aminothieno[2,3-b]quinolin-2-yl)ethanone;ethyl 2-acetyl-3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate?

1-[3-amino-6-benzyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-6-(4-fluorophenyl)-5-methylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(3-aminothieno[2,3-b]quinolin-2-yl)ethanone;ethyl 2-acetyl-3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate has a molecular weight of 2130.63 g/mol, XLogP of 28.41, 19 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-6-benzyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-butylthieno[2,3-b]pyridin-2-yl)ethanone;1-[3-amino-6-(4-fluorophenyl)-5-methylthieno[2,3-b]pyridin-2-yl]ethanone;1-[3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridin-2-yl]ethanone;1-(3-amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)ethanone;1-(3-aminothieno[2,3-b]quinolin-2-yl)ethanone;ethyl 2-acetyl-3-amino-6-methyl-4-phenylthieno[2,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 159020922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).