4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropyl acetate;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylpropyl acetate;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate

C133H125N13O19S18 — CID 157456496

About 4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropyl acetate;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylpropyl acetate;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate

4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropyl acetate;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylpropyl acetate;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate (PubChem CID 157456496) has the molecular formula C133H125N13O19S18 and a molecular weight of 2786.74 g/mol. Its IUPAC name is 4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropyl acetate;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylpropyl acetate;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate.

Molecular Properties

• Compound Name: 4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropyl acetate;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylpropyl acetate;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate
• PubChem CID: 157456496
• Molecular Formula: C133H125N13O19S18
• Molecular Weight: 2786.74 g/mol
• Exact Mass: 2783.42
• IUPAC Name: 4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropyl acetate;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylpropyl acetate;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate
• SMILES: CC(=O)OCCCCS(=O)(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CC(=O)OCCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CC(=O)OCCCS(=O)(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CC(=O)OCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(C(=O)OC)cc3)c2c1N.Nc1c(S(=O)CCCCO)sc2nc(-c3cccs3)cc(-c3ccccc3)c12
• InChI: InChI=1S/C23H22N2O4S3.C23H22N2O3S3.C22H21N3O3S3.C22H20N2O4S3.C22H20N2O3S3.C21H20N2O2S3/c1-15(26)29-11-5-6-13-32(27,28)23-21(24)20-17(16-8-3-2-4-9-16)14-18(25-22(20)31-23)19-10-7-12-30-19;1-15(26)28-11-5-6-13-31(27)23-21(24)20-17(16-8-3-2-4-9-16)14-18(25-22(20)30-23)19-10-7-12-29-19;1-3-4-11-31(27)22-18(23)17-15(13-5-7-14(8-6-13)21(26)28-2)12-16(25-20(17)30-22)19-24-9-10-29-19;1-14(25)28-10-6-12-31(26,27)22-20(23)19-16(15-7-3-2-4-8-15)13-17(24-21(19)30-22)18-9-5-11-29-18;1-14(25)27-10-6-12-30(26)22-20(23)19-16(15-7-3-2-4-8-15)13-17(24-21(19)29-22)18-9-5-11-28-18;22-19-18-15(14-7-2-1-3-8-14)13-16(17-9-6-11-26-17)23-20(18)27-21(19)28(25)12-5-4-10-24/h2-4,7-10,12,14H,5-6,11,13,24H2,1H3;2-4,7-10,12,14H,5-6,11,13,24H2,1H3;5-10,12H,3-4,11,23H2,1-2H3;2-5,7-9,11,13H,6,10,12,23H2,1H3;2-5,7-9,11,13H,6,10,12,23H2,1H3;1-3,6-9,11,13,24H,4-5,10,12,22H2
• InChIKey: BTKKWZOLLBXCLM-UHFFFAOYSA-N
• XLogP: 31.97
• TPSA: 534.64 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 44
• Rotatable Bonds: 44
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2786.74
LogP ≤ 5	31.97
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropyl acetate;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylpropyl acetate;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate?

The IUPAC name of 4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropyl acetate;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylpropyl acetate;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate (CID 157456496) is 4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropyl acetate;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylpropyl acetate;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate.

What is the SMILES notation for 4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropyl acetate;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylpropyl acetate;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate?

The canonical SMILES for 4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropyl acetate;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylpropyl acetate;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate is CC(=O)OCCCCS(=O)(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CC(=O)OCCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CC(=O)OCCCS(=O)(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CC(=O)OCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(C(=O)OC)cc3)c2c1N.Nc1c(S(=O)CCCCO)sc2nc(-c3cccs3)cc(-c3ccccc3)c12.

What is the InChIKey of 4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropyl acetate;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylpropyl acetate;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate?

The InChIKey is BTKKWZOLLBXCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S3.C23H22N2O3S3.C22H21N3O3S3.C22H20N2O4S3.C22H20N2O3S3.C21H20N2O2S3/c1-15(26)29-11-5-6-13-32(27,28)23-21(24)20-17(16-8-3-2-4-9-16)14-18(25-22(20)31-23)19-10-7-12-30-19;1-15(26)28-11-5-6-13-31(27)23-21(24)20-17(16-8-3-2-4-9-16)14-18(25-22(20)30-23)19-10-7-12-29-19;1-3-4-11-31(27)22-18(23)17-15(13-5-7-14(8-6-13)21(26)28-2)12-16(25-20(17)30-22)19-24-9-10-29-19;1-14(25)28-10-6-12-31(26,27)22-20(23)19-16(15-7-3-2-4-8-15)13-17(24-21(19)30-22)18-9-5-11-29-18;1-14(25)27-10-6-12-30(26)22-20(23)19-16(15-7-3-2-4-8-15)13-17(24-21(19)29-22)18-9-5-11-28-18;22-19-18-15(14-7-2-1-3-8-14)13-16(17-9-6-11-26-17)23-20(18)27-21(19)28(25)12-5-4-10-24/h2-4,7-10,12,14H,5-6,11,13,24H2,1H3;2-4,7-10,12,14H,5-6,11,13,24H2,1H3;5-10,12H,3-4,11,23H2,1-2H3;2-5,7-9,11,13H,6,10,12,23H2,1H3;2-5,7-9,11,13H,6,10,12,23H2,1H3;1-3,6-9,11,13,24H,4-5,10,12,22H2.

What are the key properties of 4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropyl acetate;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylpropyl acetate;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate?

4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropyl acetate;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylpropyl acetate;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate has a molecular weight of 2786.74 g/mol, XLogP of 31.97, 44 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutan-1-ol;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfinylpropyl acetate;4-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylbutyl acetate;3-(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)sulfonylpropyl acetate;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate is sourced from PubChem (CID 157456496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).