[4-[3-amino-2-butylsulfonyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;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-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);methyl 3-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)benzoate

C127H122N16O10S18 — CID 157440570

About [4-[3-amino-2-butylsulfonyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;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-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);methyl 3-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)benzoate

[4-[3-amino-2-butylsulfonyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;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-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);methyl 3-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)benzoate (PubChem CID 157440570) has the molecular formula C127H122N16O10S18 and a molecular weight of 2609.68 g/mol. Its IUPAC name is [4-[3-amino-2-butylsulfonyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;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-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);methyl 3-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)benzoate.

Molecular Properties

• Compound Name: [4-[3-amino-2-butylsulfonyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;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-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);methyl 3-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)benzoate
• PubChem CID: 157440570
• Molecular Formula: C127H122N16O10S18
• Molecular Weight: 2609.68 g/mol
• Exact Mass: 2606.45
• IUPAC Name: [4-[3-amino-2-butylsulfonyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;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-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);methyl 3-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)benzoate
• SMILES: CCCCS(=O)(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(CO)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3cccc(C(=O)OC)c3)c2c1N.CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3cnc(C)n3C)c2c1N.N#CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N
• InChI: InChI=1S/C23H22N2O3S3.C21H21N3O3S3.C21H17N3OS3.2C21H20N2OS3.C20H22N4OS3/c1-3-4-11-31(27)23-20(24)19-16(14-7-5-8-15(12-14)22(26)28-2)13-17(25-21(19)30-23)18-9-6-10-29-18;1-2-3-10-30(26,27)21-18(22)17-15(14-6-4-13(12-25)5-7-14)11-16(24-20(17)29-21)19-23-8-9-28-19;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;1-4-5-9-28(25)20-18(21)17-13(15-11-22-12(2)24(15)3)10-14(23-19(17)27-20)16-7-6-8-26-16/h5-10,12-13H,3-4,11,24H2,1-2H3;4-9,11,25H,2-3,10,12,22H2,1H3;1-3,6-9,11,13H,4-5,12,23H2;2*4-11,13H,2-3,12,22H2,1H3;6-8,10-11H,4-5,9,21H2,1-3H3
• InChIKey: BRPWXUKLMRLIAX-UHFFFAOYSA-N
• XLogP: 33.98
• TPSA: 453.98 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 38
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2609.68
LogP ≤ 5	33.98
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[3-amino-2-butylsulfonyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;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-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);methyl 3-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)benzoate?

The IUPAC name of [4-[3-amino-2-butylsulfonyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;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-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);methyl 3-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)benzoate (CID 157440570) is [4-[3-amino-2-butylsulfonyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;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-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);methyl 3-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)benzoate.

What is the SMILES notation for [4-[3-amino-2-butylsulfonyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;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-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);methyl 3-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)benzoate?

The canonical SMILES for [4-[3-amino-2-butylsulfonyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;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-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);methyl 3-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)benzoate is CCCCS(=O)(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(CO)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3cccc(C(=O)OC)c3)c2c1N.CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3cnc(C)n3C)c2c1N.N#CCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.

What is the InChIKey of [4-[3-amino-2-butylsulfonyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;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-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);methyl 3-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)benzoate?

The InChIKey is BRPWXUKLMRLIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S3.C21H21N3O3S3.C21H17N3OS3.2C21H20N2OS3.C20H22N4OS3/c1-3-4-11-31(27)23-20(24)19-16(14-7-5-8-15(12-14)22(26)28-2)13-17(25-21(19)30-23)18-9-6-10-29-18;1-2-3-10-30(26,27)21-18(22)17-15(14-6-4-13(12-25)5-7-14)11-16(24-20(17)29-21)19-23-8-9-28-19;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;1-4-5-9-28(25)20-18(21)17-13(15-11-22-12(2)24(15)3)10-14(23-19(17)27-20)16-7-6-8-26-16/h5-10,12-13H,3-4,11,24H2,1-2H3;4-9,11,25H,2-3,10,12,22H2,1H3;1-3,6-9,11,13H,4-5,12,23H2;2*4-11,13H,2-3,12,22H2,1H3;6-8,10-11H,4-5,9,21H2,1-3H3.

What are the key properties of [4-[3-amino-2-butylsulfonyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;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-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);methyl 3-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)benzoate?

[4-[3-amino-2-butylsulfonyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;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-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);methyl 3-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)benzoate has a molecular weight of 2609.68 g/mol, XLogP of 33.98, 38 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-amino-2-butylsulfonyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methanol;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-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;bis(2-butylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine);methyl 3-(3-amino-2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-4-yl)benzoate is sourced from PubChem (CID 157440570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).