2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;tert-butyl 6-amino-8-(2,3-difluorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

C117H125F2N13O12S7 — CID 160826735

About 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;tert-butyl 6-amino-8-(2,3-difluorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate

2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;tert-butyl 6-amino-8-(2,3-difluorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (PubChem CID 160826735) has the molecular formula C117H125F2N13O12S7 and a molecular weight of 2167.83 g/mol. Its IUPAC name is 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;tert-butyl 6-amino-8-(2,3-difluorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;tert-butyl 6-amino-8-(2,3-difluorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
• PubChem CID: 160826735
• Molecular Formula: C117H125F2N13O12S7
• Molecular Weight: 2167.83 g/mol
• Exact Mass: 2165.76
• IUPAC Name: 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;tert-butyl 6-amino-8-(2,3-difluorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
• SMILES: CC(C)(C)OC(=O)c1sc2nc3c(c(-c4cccc(F)c4F)c2c1N)CCCCC3.CC(C)(C)OC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCC3.CC(C)(C)OC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3.CC(C)(C)OC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3.CCc1c(C)nc2sc(C(=O)OC(C)(C)C)c(-c3cccc(C#N)c3)c2c1C.CCc1c(C)nc2sc(N)c(C#N)c2c1C
• InChI: InChI=1S/C23H24F2N2O2S.C23H24N2O2S.C20H22N2O3S.C20H22N2O2S2.C19H20N2O3S.C12H13N3S/c1-23(2,3)29-22(28)20-19(26)17-16(13-9-7-10-14(24)18(13)25)12-8-5-4-6-11-15(12)27-21(17)30-20;1-7-17-13(2)18-19(16-10-8-9-15(11-16)12-24)20(22(26)27-23(4,5)6)28-21(18)25-14(17)3;1-20(2,3)25-19(23)17-16(21)15-14(13-9-6-10-24-13)11-7-4-5-8-12(11)22-18(15)26-17;1-20(2,3)24-19(23)17-16(21)15-14(13-9-6-10-25-13)11-7-4-5-8-12(11)22-18(15)26-17;1-19(2,3)24-18(22)16-15(20)14-13(12-8-5-9-23-12)10-6-4-7-11(10)21-17(14)25-16;1-4-8-6(2)10-9(5-13)11(14)16-12(10)15-7(8)3/h7,9-10H,4-6,8,11,26H2,1-3H3;8-11H,7H2,1-6H3;2*6,9-10H,4-5,7-8,21H2,1-3H3;5,8-9H,4,6-7,20H2,1-3H3;4,14H2,1-3H3
• InChIKey: SGGSMDSHDHFNOG-UHFFFAOYSA-N
• XLogP: 29.94
• TPSA: 412.80 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 12
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2167.83
LogP ≤ 5	29.94
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;tert-butyl 6-amino-8-(2,3-difluorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?

The IUPAC name of 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;tert-butyl 6-amino-8-(2,3-difluorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate (CID 160826735) is 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;tert-butyl 6-amino-8-(2,3-difluorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate.

What is the SMILES notation for 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;tert-butyl 6-amino-8-(2,3-difluorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?

The canonical SMILES for 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;tert-butyl 6-amino-8-(2,3-difluorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is CC(C)(C)OC(=O)c1sc2nc3c(c(-c4cccc(F)c4F)c2c1N)CCCCC3.CC(C)(C)OC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCC3.CC(C)(C)OC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3.CC(C)(C)OC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3.CCc1c(C)nc2sc(C(=O)OC(C)(C)C)c(-c3cccc(C#N)c3)c2c1C.CCc1c(C)nc2sc(N)c(C#N)c2c1C.

What is the InChIKey of 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;tert-butyl 6-amino-8-(2,3-difluorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?

The InChIKey is SGGSMDSHDHFNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O2S.C23H24N2O2S.C20H22N2O3S.C20H22N2O2S2.C19H20N2O3S.C12H13N3S/c1-23(2,3)29-22(28)20-19(26)17-16(13-9-7-10-14(24)18(13)25)12-8-5-4-6-11-15(12)27-21(17)30-20;1-7-17-13(2)18-19(16-10-8-9-15(11-16)12-24)20(22(26)27-23(4,5)6)28-21(18)25-14(17)3;1-20(2,3)25-19(23)17-16(21)15-14(13-9-6-10-24-13)11-7-4-5-8-12(11)22-18(15)26-17;1-20(2,3)24-19(23)17-16(21)15-14(13-9-6-10-25-13)11-7-4-5-8-12(11)22-18(15)26-17;1-19(2,3)24-18(22)16-15(20)14-13(12-8-5-9-23-12)10-6-4-7-11(10)21-17(14)25-16;1-4-8-6(2)10-9(5-13)11(14)16-12(10)15-7(8)3/h7,9-10H,4-6,8,11,26H2,1-3H3;8-11H,7H2,1-6H3;2*6,9-10H,4-5,7-8,21H2,1-3H3;5,8-9H,4,6-7,20H2,1-3H3;4,14H2,1-3H3.

What are the key properties of 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;tert-butyl 6-amino-8-(2,3-difluorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate?

2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;tert-butyl 6-amino-8-(2,3-difluorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate has a molecular weight of 2167.83 g/mol, XLogP of 29.94, 12 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-3-carbonitrile;tert-butyl 6-amino-8-(2,3-difluorophenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-(furan-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-amino-4-thiophen-2-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate;tert-butyl 3-(3-cyanophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate is sourced from PubChem (CID 160826735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).