3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutanenitrile;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

C121H118ClN17O7S18 — CID 157216800

About 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutanenitrile;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutanenitrile;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 157216800) has the molecular formula C121H118ClN17O7S18 and a molecular weight of 2535.05 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-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutanenitrile;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutanenitrile;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
• PubChem CID: 157216800
• Molecular Formula: C121H118ClN17O7S18
• Molecular Weight: 2535.05 g/mol
• Exact Mass: 2531.41
• IUPAC Name: 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutanenitrile;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
• SMILES: CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3cccs3)cc(C(=O)N(C)C)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.N#CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.Nc1c(S(=O)CCCCCl)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
• InChI: InChI=1S/C21H19ClN2OS3.C21H17N3OS3.2C21H20N2OS3.C19H21N5OS3.C18H21N3O2S3/c2*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;2*1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17;1-4-5-8-28(25)19-16(20)15-12(14-10-22-11(2)24(14)3)9-13(23-18(15)27-19)17-21-6-7-26-17;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/h1-3,6-9,11,13H,4-5,10,12,23H2;1-3,6-9,11,13H,4-5,12,23H2;2*4-11,13H,2-3,12,22H2,1H3;6-7,9-10H,4-5,8,20H2,1-3H3;6-8,10H,4-5,9,19H2,1-3H3
• InChIKey: ASMZWAWBJRIAEK-UHFFFAOYSA-N
• XLogP: 33.28
• TPSA: 410.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 37
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2535.05
LogP ≤ 5	33.28
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', '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-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutanenitrile;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?

The IUPAC name of 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutanenitrile;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (CID 157216800) is 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutanenitrile;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.

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-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutanenitrile;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutanenitrile;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3cccs3)cc(C(=O)N(C)C)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.N#CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.Nc1c(S(=O)CCCCCl)sc2nc(-c3cccs3)cc(-c3ccccc3)c12.

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-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutanenitrile;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?

The InChIKey is ASMZWAWBJRIAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2OS3.C21H17N3OS3.2C21H20N2OS3.C19H21N5OS3.C18H21N3O2S3/c2*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;2*1-2-3-12-27(24)21-19(22)18-15(14-8-5-4-6-9-14)13-16(23-20(18)26-21)17-10-7-11-25-17;1-4-5-8-28(25)19-16(20)15-12(14-10-22-11(2)24(14)3)9-13(23-18(15)27-19)17-21-6-7-26-17;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/h1-3,6-9,11,13H,4-5,10,12,23H2;1-3,6-9,11,13H,4-5,12,23H2;2*4-11,13H,2-3,12,22H2,1H3;6-7,9-10H,4-5,8,20H2,1-3H3;6-8,10H,4-5,9,19H2,1-3H3.

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-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutanenitrile;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?

3-amino-2-butylsulfinyl-N,N-dimethyl-6-thiophen-2-ylthieno[2,3-b]pyridine-4-carboxamide;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutanenitrile;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 2535.05 g/mol, XLogP of 33.28, 37 rotatable bonds, 6 hydrogen bond donors, and 35 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-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutanenitrile;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);2-(4-chlorobutylsulfinyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 157216800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).