tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate

C148H224N24O21S8 — CID 159793339

About tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate

tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate (PubChem CID 159793339) has the molecular formula C148H224N24O21S8 and a molecular weight of 2932.10 g/mol. Its IUPAC name is tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate.

Molecular Properties

• Compound Name: tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate
• PubChem CID: 159793339
• Molecular Formula: C148H224N24O21S8
• Molecular Weight: 2932.10 g/mol
• Exact Mass: 2929.50
• IUPAC Name: tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate
• SMILES: CCc1c(C)nc2sc(C(=O)SC(C)(C)C)cc2c1C.COCCN1CCN(CCOc2c(C)nc3sc(C(=O)OC(C)(C)C)c(N)c3c2C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCCCC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCCN(C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCN(C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCN(CCCN(C)C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCOCC1
• InChI: InChI=1S/C25H41N5O3S.C23H36N4O4S.C22H34N4O3S.C21H32N4O3S.C21H31N3O3S.C20H29N3O4S.C16H21NOS2/c1-17-19-20(26)22(24(31)33-25(3,4)5)34-23(19)27-18(2)21(17)32-16-15-30-13-11-29(12-14-30)10-8-9-28(6)7;1-15-17-18(24)20(22(28)31-23(3,4)5)32-21(17)25-16(2)19(15)30-14-12-27-9-7-26(8-10-27)11-13-29-6;1-14-16-17(23)19(21(27)29-22(3,4)5)30-20(16)24-15(2)18(14)28-13-12-26-9-7-8-25(6)10-11-26;1-13-15-16(22)18(20(26)28-21(3,4)5)29-19(15)23-14(2)17(13)27-12-11-25-9-7-24(6)8-10-25;1-13-15-16(22)18(20(25)27-21(3,4)5)28-19(15)23-14(2)17(13)26-12-11-24-9-7-6-8-10-24;1-12-14-15(21)17(19(24)27-20(3,4)5)28-18(14)22-13(2)16(12)26-11-8-23-6-9-25-10-7-23;1-7-11-9(2)12-8-13(15(18)20-16(4,5)6)19-14(12)17-10(11)3/h8-16,26H2,1-7H3;7-14,24H2,1-6H3;7-13,23H2,1-6H3;7-12,22H2,1-6H3;6-12,22H2,1-5H3;6-11,21H2,1-5H3;8H,7H2,1-6H3
• InChIKey: NIVSOHDWWUFFME-UHFFFAOYSA-N
• XLogP: 25.66
• TPSA: 530.70 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 53
• Rotatable Bonds: 39
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2932.10
LogP ≤ 5	25.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate?

The IUPAC name of tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate (CID 159793339) is tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate.

What is the SMILES notation for tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate?

The canonical SMILES for tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate is CCc1c(C)nc2sc(C(=O)SC(C)(C)C)cc2c1C.COCCN1CCN(CCOc2c(C)nc3sc(C(=O)OC(C)(C)C)c(N)c3c2C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCCCC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCCN(C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCN(C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCN(CCCN(C)C)CC1.Cc1nc2sc(C(=O)OC(C)(C)C)c(N)c2c(C)c1OCCN1CCOCC1.

What is the InChIKey of tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate?

The InChIKey is NIVSOHDWWUFFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N5O3S.C23H36N4O4S.C22H34N4O3S.C21H32N4O3S.C21H31N3O3S.C20H29N3O4S.C16H21NOS2/c1-17-19-20(26)22(24(31)33-25(3,4)5)34-23(19)27-18(2)21(17)32-16-15-30-13-11-29(12-14-30)10-8-9-28(6)7;1-15-17-18(24)20(22(28)31-23(3,4)5)32-21(17)25-16(2)19(15)30-14-12-27-9-7-26(8-10-27)11-13-29-6;1-14-16-17(23)19(21(27)29-22(3,4)5)30-20(16)24-15(2)18(14)28-13-12-26-9-7-8-25(6)10-11-26;1-13-15-16(22)18(20(26)28-21(3,4)5)29-19(15)23-14(2)17(13)27-12-11-25-9-7-24(6)8-10-25;1-13-15-16(22)18(20(25)27-21(3,4)5)28-19(15)23-14(2)17(13)26-12-11-24-9-7-6-8-10-24;1-12-14-15(21)17(19(24)27-20(3,4)5)28-18(14)22-13(2)16(12)26-11-8-23-6-9-25-10-7-23;1-7-11-9(2)12-8-13(15(18)20-16(4,5)6)19-14(12)17-10(11)3/h8-16,26H2,1-7H3;7-14,24H2,1-6H3;7-13,23H2,1-6H3;7-12,22H2,1-6H3;6-12,22H2,1-5H3;6-11,21H2,1-5H3;8H,7H2,1-6H3.

What are the key properties of tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate?

tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate has a molecular weight of 2932.10 g/mol, XLogP of 25.66, 39 rotatable bonds, 6 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-amino-5-[2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-[2-(4-methylpiperazin-1-yl)ethoxy]thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-4,6-dimethyl-5-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyridine-2-carboxylate;tert-butyl 3-amino-5-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethoxy]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate;S-tert-butyl 5-ethyl-4,6-dimethylthieno[2,3-b]pyridine-2-carbothioate is sourced from PubChem (CID 159793339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).