(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;ethyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate

C108H116ClN11O10S7 — CID 159683407

About (6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;ethyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate

(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;ethyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate (PubChem CID 159683407) has the molecular formula C108H116ClN11O10S7 and a molecular weight of 1988.10 g/mol. Its IUPAC name is (6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;ethyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate.

Molecular Properties

• Compound Name: (6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;ethyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate
• PubChem CID: 159683407
• Molecular Formula: C108H116ClN11O10S7
• Molecular Weight: 1988.10 g/mol
• Exact Mass: 1985.66
• IUPAC Name: (6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;ethyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate
• SMILES: CC(C)(C)OC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCCC3.CCOC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCC3.CCc1c(C)nc2sc(C(=O)NCc3ccccc3)c(-c3ccc(OC)cc3)c2c1C.CCc1c(C)nc2sc(C(=O)OC(C)(C)C)c(-c3cccc(Cl)c3)c2c1C.CN1CCN(C(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCCC4)CC1
• InChI: InChI=1S/C26H26N2O2S.C22H24ClNO2S.C22H26N4OS2.C21H24N2O2S2.C17H16N2O3S/c1-5-21-16(2)22-23(19-11-13-20(30-4)14-12-19)24(31-26(22)28-17(21)3)25(29)27-15-18-9-7-6-8-10-18;1-7-16-12(2)17-18(14-9-8-10-15(23)11-14)19(21(25)26-22(4,5)6)27-20(17)24-13(16)3;1-25-9-11-26(12-10-25)22(27)20-19(23)18-17(16-8-5-13-28-16)14-6-3-2-4-7-15(14)24-21(18)29-20;1-21(2,3)25-20(24)18-17(22)16-15(14-10-7-11-26-14)12-8-5-4-6-9-13(12)23-19(16)27-18;1-2-21-17(20)15-14(18)13-12(11-7-4-8-22-11)9-5-3-6-10(9)19-16(13)23-15/h6-14H,5,15H2,1-4H3,(H,27,29);8-11H,7H2,1-6H3;5,8,13H,2-4,6-7,9-12,23H2,1H3;7,10-11H,4-6,8-9,22H2,1-3H3;4,7-8H,2-3,5-6,18H2,1H3
• InChIKey: MVMGBNRBCLNECG-UHFFFAOYSA-N
• XLogP: 26.73
• TPSA: 296.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1988.10
LogP ≤ 5	26.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;ethyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate?

The IUPAC name of (6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;ethyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate (CID 159683407) is (6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;ethyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate.

What is the SMILES notation for (6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;ethyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate?

The canonical SMILES for (6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;ethyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate is CC(C)(C)OC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCCC3.CCOC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCC3.CCc1c(C)nc2sc(C(=O)NCc3ccccc3)c(-c3ccc(OC)cc3)c2c1C.CCc1c(C)nc2sc(C(=O)OC(C)(C)C)c(-c3cccc(Cl)c3)c2c1C.CN1CCN(C(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCCC4)CC1.

What is the InChIKey of (6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;ethyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate?

The InChIKey is MVMGBNRBCLNECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S.C22H24ClNO2S.C22H26N4OS2.C21H24N2O2S2.C17H16N2O3S/c1-5-21-16(2)22-23(19-11-13-20(30-4)14-12-19)24(31-26(22)28-17(21)3)25(29)27-15-18-9-7-6-8-10-18;1-7-16-12(2)17-18(14-9-8-10-15(23)11-14)19(21(25)26-22(4,5)6)27-20(17)24-13(16)3;1-25-9-11-26(12-10-25)22(27)20-19(23)18-17(16-8-5-13-28-16)14-6-3-2-4-7-15(14)24-21(18)29-20;1-21(2,3)25-20(24)18-17(22)16-15(14-10-7-11-26-14)12-8-5-4-6-9-13(12)23-19(16)27-18;1-2-21-17(20)15-14(18)13-12(11-7-4-8-22-11)9-5-3-6-10(9)19-16(13)23-15/h6-14H,5,15H2,1-4H3,(H,27,29);8-11H,7H2,1-6H3;5,8,13H,2-4,6-7,9-12,23H2,1H3;7,10-11H,4-6,8-9,22H2,1-3H3;4,7-8H,2-3,5-6,18H2,1H3.

What are the key properties of (6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;ethyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate?

(6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;ethyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate has a molecular weight of 1988.10 g/mol, XLogP of 26.73, 16 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraen-5-yl)-(4-methylpiperazin-1-yl)methanone;N-benzyl-5-ethyl-3-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide;tert-butyl 6-amino-8-thiophen-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1(9),2,5,7-tetraene-5-carboxylate;tert-butyl 3-(3-chlorophenyl)-5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;ethyl 6-amino-8-(furan-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxylate is sourced from PubChem (CID 159683407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).