3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;methyl 3-amino-4-(1-methylimidazol-2-yl)-2-propylsulfinylthieno[2,3-b]pyridine-6-carboximidothioate

C99H102ClN17O9S15 — CID 157158417

About 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;methyl 3-amino-4-(1-methylimidazol-2-yl)-2-propylsulfinylthieno[2,3-b]pyridine-6-carboximidothioate

3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;methyl 3-amino-4-(1-methylimidazol-2-yl)-2-propylsulfinylthieno[2,3-b]pyridine-6-carboximidothioate (PubChem CID 157158417) has the molecular formula C99H102ClN17O9S15 and a molecular weight of 2190.47 g/mol. Its IUPAC name is 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;methyl 3-amino-4-(1-methylimidazol-2-yl)-2-propylsulfinylthieno[2,3-b]pyridine-6-carboximidothioate.

Molecular Properties

• Compound Name: 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;methyl 3-amino-4-(1-methylimidazol-2-yl)-2-propylsulfinylthieno[2,3-b]pyridine-6-carboximidothioate
• PubChem CID: 157158417
• Molecular Formula: C99H102ClN17O9S15
• Molecular Weight: 2190.47 g/mol
• Exact Mass: 2187.35
• IUPAC Name: 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;methyl 3-amino-4-(1-methylimidazol-2-yl)-2-propylsulfinylthieno[2,3-b]pyridine-6-carboximidothioate
• SMILES: CCCCS(=O)c1sc2nc(-c3cccs3)cc(C(=O)N(C)C)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(C(=O)N(C)C)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(C(=O)O)cc3)c2c1N.Nc1c(S(=O)CCCCCl)sc2nc(-c3cccs3)cc(-c3ccccc3)c12.[H]/N=C(\SC)c1cc(-c2nccn2C)c2c(N)c(S(=O)CCC)sc2n1
• InChI: InChI=1S/C23H24N4O2S3.C21H19ClN2OS3.C21H19N3O3S3.C18H21N3O2S3.C16H19N5OS3/c1-4-5-12-32(29)23-19(24)18-16(14-6-8-15(9-7-14)22(28)27(2)3)13-17(26-21(18)31-23)20-25-10-11-30-20;22-10-4-5-12-28(25)21-19(23)18-15(14-7-2-1-3-8-14)13-16(24-20(18)27-21)17-9-6-11-26-17;1-2-3-10-30(27)21-17(22)16-14(12-4-6-13(7-5-12)20(25)26)11-15(24-19(16)29-21)18-23-8-9-28-18;1-4-5-9-26(23)18-15(19)14-11(17(22)21(2)3)10-12(20-16(14)25-18)13-7-6-8-24-13;1-4-7-25(22)16-12(17)11-9(14-19-5-6-21(14)2)8-10(13(18)23-3)20-15(11)24-16/h6-11,13H,4-5,12,24H2,1-3H3;1-3,6-9,11,13H,4-5,10,12,23H2;4-9,11H,2-3,10,22H2,1H3,(H,25,26);6-8,10H,4-5,9,19H2,1-3H3;5-6,8,18H,4,7,17H2,1-3H3/b;;;;18-13-
• InChIKey: AMBVLTQASOPBDO-HNVGLQJWSA-N
• XLogP: 24.66
• TPSA: 425.27 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2190.47
LogP ≤ 5	24.66
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;methyl 3-amino-4-(1-methylimidazol-2-yl)-2-propylsulfinylthieno[2,3-b]pyridine-6-carboximidothioate?

The IUPAC name of 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;methyl 3-amino-4-(1-methylimidazol-2-yl)-2-propylsulfinylthieno[2,3-b]pyridine-6-carboximidothioate (CID 157158417) is 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;methyl 3-amino-4-(1-methylimidazol-2-yl)-2-propylsulfinylthieno[2,3-b]pyridine-6-carboximidothioate.

What is the SMILES notation for 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;methyl 3-amino-4-(1-methylimidazol-2-yl)-2-propylsulfinylthieno[2,3-b]pyridine-6-carboximidothioate?

The canonical SMILES for 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;methyl 3-amino-4-(1-methylimidazol-2-yl)-2-propylsulfinylthieno[2,3-b]pyridine-6-carboximidothioate is CCCCS(=O)c1sc2nc(-c3cccs3)cc(C(=O)N(C)C)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(C(=O)N(C)C)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(C(=O)O)cc3)c2c1N.Nc1c(S(=O)CCCCCl)sc2nc(-c3cccs3)cc(-c3ccccc3)c12.[H]/N=C(\SC)c1cc(-c2nccn2C)c2c(N)c(S(=O)CCC)sc2n1.

What is the InChIKey of 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;methyl 3-amino-4-(1-methylimidazol-2-yl)-2-propylsulfinylthieno[2,3-b]pyridine-6-carboximidothioate?

The InChIKey is AMBVLTQASOPBDO-HNVGLQJWSA-N. The full InChI is InChI=1S/C23H24N4O2S3.C21H19ClN2OS3.C21H19N3O3S3.C18H21N3O2S3.C16H19N5OS3/c1-4-5-12-32(29)23-19(24)18-16(14-6-8-15(9-7-14)22(28)27(2)3)13-17(26-21(18)31-23)20-25-10-11-30-20;22-10-4-5-12-28(25)21-19(23)18-15(14-7-2-1-3-8-14)13-16(24-20(18)27-21)17-9-6-11-26-17;1-2-3-10-30(27)21-17(22)16-14(12-4-6-13(7-5-12)20(25)26)11-15(24-19(16)29-21)18-23-8-9-28-18;1-4-5-9-26(23)18-15(19)14-11(17(22)21(2)3)10-12(20-16(14)25-18)13-7-6-8-24-13;1-4-7-25(22)16-12(17)11-9(14-19-5-6-21(14)2)8-10(13(18)23-3)20-15(11)24-16/h6-11,13H,4-5,12,24H2,1-3H3;1-3,6-9,11,13H,4-5,10,12,23H2;4-9,11H,2-3,10,22H2,1H3,(H,25,26);6-8,10H,4-5,9,19H2,1-3H3;5-6,8,18H,4,7,17H2,1-3H3/b;;;;18-13-.

What are the key properties of 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;methyl 3-amino-4-(1-methylimidazol-2-yl)-2-propylsulfinylthieno[2,3-b]pyridine-6-carboximidothioate?

3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;methyl 3-amino-4-(1-methylimidazol-2-yl)-2-propylsulfinylthieno[2,3-b]pyridine-6-carboximidothioate has a molecular weight of 2190.47 g/mol, XLogP of 24.66, 32 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]-N,N-dimethylbenzamide;2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;methyl 3-amino-4-(1-methylimidazol-2-yl)-2-propylsulfinylthieno[2,3-b]pyridine-6-carboximidothioate is sourced from PubChem (CID 157158417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).