2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(4-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(5-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(2-methoxyethylsulfinyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C111H118F2N32O11S18 — CID 157069233

About 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(4-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(5-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(2-methoxyethylsulfinyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(4-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(5-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(2-methoxyethylsulfinyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 157069233) has the molecular formula C111H118F2N32O11S18 and a molecular weight of 2691.58 g/mol. Its IUPAC name is 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(4-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(5-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(2-methoxyethylsulfinyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(4-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(5-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(2-methoxyethylsulfinyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• PubChem CID: 157069233
• Molecular Formula: C111H118F2N32O11S18
• Molecular Weight: 2691.58 g/mol
• Exact Mass: 2688.46
• IUPAC Name: 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(4-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(5-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(2-methoxyethylsulfinyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• SMILES: CCCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.COCCS(=O)c1sc2nc(-c3nc(F)cs3)cc(-c3cnc(C)n3C)c2c1N.COCCS(=O)c1sc2nc(-c3ncc(C(N)=O)s3)cc(-c3cnc(C)n3C)c2c1N.COCCS(=O)c1sc2nc(-c3ncc(F)s3)cc(-c3cnc(C)n3C)c2c1N.COCCS(=O)c1sc2nc(-c3nccs3)nc(-c3cnc(C)n3C)c2c1N
• InChI: InChI=1S/C20H23N5OS3.C19H20N6O3S3.C19H21N5OS3.2C18H18FN5O2S3.C17H18N6O2S3/c1-4-5-6-9-29(26)20-17(21)16-13(15-11-23-12(2)25(15)3)10-14(24-19(16)28-20)18-22-7-8-27-18;1-9-22-7-12(25(9)2)10-6-11(17-23-8-13(29-17)16(21)26)24-18-14(10)15(20)19(30-18)31(27)5-4-28-3;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;1-9-21-7-12(24(9)2)10-6-11(16-23-13(19)8-27-16)22-17-14(10)15(20)18(28-17)29(25)5-4-26-3;1-9-21-7-12(24(9)2)10-6-11(16-22-8-13(19)27-16)23-17-14(10)15(20)18(28-17)29(25)5-4-26-3;1-9-20-8-10(23(9)2)13-11-12(18)17(28(24)7-5-25-3)27-15(11)22-14(21-13)16-19-4-6-26-16/h7-8,10-11H,4-6,9,21H2,1-3H3;6-8H,4-5,20H2,1-3H3,(H2,21,26);6-7,9-10H,4-5,8,20H2,1-3H3;2*6-8H,4-5,20H2,1-3H3;4,6,8H,5,7,18H2,1-3H3
• InChIKey: ACFPRAAOUZNOBC-UHFFFAOYSA-N
• XLogP: 22.26
• TPSA: 613.04 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 54
• Rotatable Bonds: 38
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2691.58
LogP ≤ 5	22.26
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(4-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(5-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(2-methoxyethylsulfinyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The IUPAC name of 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(4-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(5-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(2-methoxyethylsulfinyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 157069233) is 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(4-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(5-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(2-methoxyethylsulfinyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(4-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(5-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(2-methoxyethylsulfinyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(4-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(5-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(2-methoxyethylsulfinyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is CCCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.COCCS(=O)c1sc2nc(-c3nc(F)cs3)cc(-c3cnc(C)n3C)c2c1N.COCCS(=O)c1sc2nc(-c3ncc(C(N)=O)s3)cc(-c3cnc(C)n3C)c2c1N.COCCS(=O)c1sc2nc(-c3ncc(F)s3)cc(-c3cnc(C)n3C)c2c1N.COCCS(=O)c1sc2nc(-c3nccs3)nc(-c3cnc(C)n3C)c2c1N.

What is the InChIKey of 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(4-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(5-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(2-methoxyethylsulfinyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The InChIKey is ACFPRAAOUZNOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS3.C19H20N6O3S3.C19H21N5OS3.2C18H18FN5O2S3.C17H18N6O2S3/c1-4-5-6-9-29(26)20-17(21)16-13(15-11-23-12(2)25(15)3)10-14(24-19(16)28-20)18-22-7-8-27-18;1-9-22-7-12(25(9)2)10-6-11(17-23-8-13(29-17)16(21)26)24-18-14(10)15(20)19(30-18)31(27)5-4-28-3;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;1-9-21-7-12(24(9)2)10-6-11(16-23-13(19)8-27-16)22-17-14(10)15(20)18(28-17)29(25)5-4-26-3;1-9-21-7-12(24(9)2)10-6-11(16-22-8-13(19)27-16)23-17-14(10)15(20)18(28-17)29(25)5-4-26-3;1-9-20-8-10(23(9)2)13-11-12(18)17(28(24)7-5-25-3)27-15(11)22-14(21-13)16-19-4-6-26-16/h7-8,10-11H,4-6,9,21H2,1-3H3;6-8H,4-5,20H2,1-3H3,(H2,21,26);6-7,9-10H,4-5,8,20H2,1-3H3;2*6-8H,4-5,20H2,1-3H3;4,6,8H,5,7,18H2,1-3H3.

What are the key properties of 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(4-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(5-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(2-methoxyethylsulfinyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(4-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(5-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(2-methoxyethylsulfinyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 2691.58 g/mol, XLogP of 22.26, 38 rotatable bonds, 7 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-amino-4-(2,3-dimethylimidazol-4-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-6-yl]-1,3-thiazole-5-carboxamide;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(4-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(5-fluoro-1,3-thiazol-2-yl)-2-(2-methoxyethylsulfinyl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-6-(2-methoxyethylsulfinyl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine;4-(2,3-dimethylimidazol-4-yl)-2-pentylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 157069233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).