2-[4-[3-amino-2-(benzenesulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol;2-butylsulfinyl-4-(4-methyl-1,3-oxazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine

C97H89N19O10S16 — CID 159598109

About 2-[4-[3-amino-2-(benzenesulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol;2-butylsulfinyl-4-(4-methyl-1,3-oxazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine

2-[4-[3-amino-2-(benzenesulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol;2-butylsulfinyl-4-(4-methyl-1,3-oxazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine (PubChem CID 159598109) has the molecular formula C97H89N19O10S16 and a molecular weight of 2193.97 g/mol. Its IUPAC name is 2-[4-[3-amino-2-(benzenesulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol;2-butylsulfinyl-4-(4-methyl-1,3-oxazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 2-[4-[3-amino-2-(benzenesulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol;2-butylsulfinyl-4-(4-methyl-1,3-oxazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
• PubChem CID: 159598109
• Molecular Formula: C97H89N19O10S16
• Molecular Weight: 2193.97 g/mol
• Exact Mass: 2191.26
• IUPAC Name: 2-[4-[3-amino-2-(benzenesulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol;2-butylsulfinyl-4-(4-methyl-1,3-oxazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
• SMILES: CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ocnc3C)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3scnc3C)c2c1N.COCCCS(=O)c1sc2nc(-c3nccs3)nc(-c3ccccc3)c2c1N.COCCS(=O)c1sc2nc(-c3nccs3)nc(-c3ccccc3)c2c1N.Nc1c(S(=O)c2ccccc2)sc2nc(-c3nccs3)cc(-c3ccc(OCCO)cc3)c12
• InChI: InChI=1S/C24H19N3O3S3.C19H18N4O2S3.C18H16N4O2S3.C18H18N4O2S3.C18H18N4OS4/c25-21-20-18(15-6-8-16(9-7-15)30-12-11-28)14-19(22-26-10-13-31-22)27-23(20)32-24(21)33(29)17-4-2-1-3-5-17;1-25-9-5-11-28(24)19-14(20)13-15(12-6-3-2-4-7-12)22-16(23-17(13)27-19)18-21-8-10-26-18;1-24-8-10-27(23)18-13(19)12-14(11-5-3-2-4-6-11)21-15(22-16(12)26-18)17-20-7-9-25-17;1-3-4-7-27(23)18-14(19)13-11(15-10(2)21-9-24-15)8-12(22-17(13)26-18)16-20-5-6-25-16;1-3-4-7-27(23)18-14(19)13-11(15-10(2)21-9-25-15)8-12(22-17(13)26-18)16-20-5-6-24-16/h1-10,13-14,28H,11-12,25H2;2-4,6-8,10H,5,9,11,20H2,1H3;2-7,9H,8,10,19H2,1H3;2*5-6,8-9H,3-4,7,19H2,1-2H3
• InChIKey: MLCOJWULXXFATK-UHFFFAOYSA-N
• XLogP: 23.45
• TPSA: 456.97 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2193.97
LogP ≤ 5	23.45
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-amino-2-(benzenesulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol;2-butylsulfinyl-4-(4-methyl-1,3-oxazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?

The IUPAC name of 2-[4-[3-amino-2-(benzenesulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol;2-butylsulfinyl-4-(4-methyl-1,3-oxazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine (CID 159598109) is 2-[4-[3-amino-2-(benzenesulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol;2-butylsulfinyl-4-(4-methyl-1,3-oxazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine.

What is the SMILES notation for 2-[4-[3-amino-2-(benzenesulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol;2-butylsulfinyl-4-(4-methyl-1,3-oxazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?

The canonical SMILES for 2-[4-[3-amino-2-(benzenesulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol;2-butylsulfinyl-4-(4-methyl-1,3-oxazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine is CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ocnc3C)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3scnc3C)c2c1N.COCCCS(=O)c1sc2nc(-c3nccs3)nc(-c3ccccc3)c2c1N.COCCS(=O)c1sc2nc(-c3nccs3)nc(-c3ccccc3)c2c1N.Nc1c(S(=O)c2ccccc2)sc2nc(-c3nccs3)cc(-c3ccc(OCCO)cc3)c12.

What is the InChIKey of 2-[4-[3-amino-2-(benzenesulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol;2-butylsulfinyl-4-(4-methyl-1,3-oxazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?

The InChIKey is MLCOJWULXXFATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3S3.C19H18N4O2S3.C18H16N4O2S3.C18H18N4O2S3.C18H18N4OS4/c25-21-20-18(15-6-8-16(9-7-15)30-12-11-28)14-19(22-26-10-13-31-22)27-23(20)32-24(21)33(29)17-4-2-1-3-5-17;1-25-9-5-11-28(24)19-14(20)13-15(12-6-3-2-4-7-12)22-16(23-17(13)27-19)18-21-8-10-26-18;1-24-8-10-27(23)18-13(19)12-14(11-5-3-2-4-6-11)21-15(22-16(12)26-18)17-20-7-9-25-17;1-3-4-7-27(23)18-14(19)13-11(15-10(2)21-9-24-15)8-12(22-17(13)26-18)16-20-5-6-25-16;1-3-4-7-27(23)18-14(19)13-11(15-10(2)21-9-25-15)8-12(22-17(13)26-18)16-20-5-6-24-16/h1-10,13-14,28H,11-12,25H2;2-4,6-8,10H,5,9,11,20H2,1H3;2-7,9H,8,10,19H2,1H3;2*5-6,8-9H,3-4,7,19H2,1-2H3.

What are the key properties of 2-[4-[3-amino-2-(benzenesulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol;2-butylsulfinyl-4-(4-methyl-1,3-oxazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?

2-[4-[3-amino-2-(benzenesulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol;2-butylsulfinyl-4-(4-methyl-1,3-oxazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine has a molecular weight of 2193.97 g/mol, XLogP of 23.45, 32 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-amino-2-(benzenesulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenoxy]ethanol;2-butylsulfinyl-4-(4-methyl-1,3-oxazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(4-methyl-1,3-thiazol-5-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(2-methoxyethylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;6-(3-methoxypropylsulfinyl)-4-phenyl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 159598109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).