2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C117H116N24O8S17 — CID 158023974

About 2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 158023974) has the molecular formula C117H116N24O8S17 and a molecular weight of 2531.51 g/mol. Its IUPAC name is 2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• PubChem CID: 158023974
• Molecular Formula: C117H116N24O8S17
• Molecular Weight: 2531.51 g/mol
• Exact Mass: 2528.47
• IUPAC Name: 2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• SMILES: CC(C)S(=O)c1sc2nc(-c3nccs3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccn3C)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccn3C)nc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(C(=O)OC)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3nccn3C)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3nccs3)c2c1N
• InChI: InChI=1S/C22H21N3O3S3.C21H22N4OS2.C20H21N5OS2.C19H17N3OS3.C18H19N5OS3.C17H16N4OS4/c1-3-4-11-31(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;1-3-4-12-28(26)21-18(22)17-15(14-8-6-5-7-9-14)13-16(24-20(17)27-21)19-23-10-11-25(19)2;1-3-4-12-28(26)20-15(21)14-16(13-8-6-5-7-9-13)23-17(24-19(14)27-20)18-22-10-11-25(18)2;1-11(2)26(23)19-16(20)15-13(12-6-4-3-5-7-12)10-14(22-18(15)25-19)17-21-8-9-24-17;1-3-4-9-27(24)18-14(19)13-11(15-20-5-7-23(15)2)10-12(22-17(13)26-18)16-21-6-8-25-16;1-2-3-8-26(22)17-13(18)12-10(14-19-4-6-23-14)9-11(21-16(12)25-17)15-20-5-7-24-15/h5-10,12H,3-4,11,23H2,1-2H3;5-11,13H,3-4,12,22H2,1-2H3;5-11H,3-4,12,21H2,1-2H3;3-11H,20H2,1-2H3;5-8,10H,3-4,9,19H2,1-2H3;4-7,9H,2-3,8,18H2,1H3
• InChIKey: FGJVZPSXMNYWMG-UHFFFAOYSA-N
• XLogP: 28.99
• TPSA: 492.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 35
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2531.51
LogP ≤ 5	28.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The IUPAC name of 2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 158023974) is 2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for 2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is CC(C)S(=O)c1sc2nc(-c3nccs3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccn3C)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccn3C)nc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(C(=O)OC)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3nccn3C)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3nccs3)c2c1N.

What is the InChIKey of 2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The InChIKey is FGJVZPSXMNYWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S3.C21H22N4OS2.C20H21N5OS2.C19H17N3OS3.C18H19N5OS3.C17H16N4OS4/c1-3-4-11-31(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;1-3-4-12-28(26)21-18(22)17-15(14-8-6-5-7-9-14)13-16(24-20(17)27-21)19-23-10-11-25(19)2;1-3-4-12-28(26)20-15(21)14-16(13-8-6-5-7-9-13)23-17(24-19(14)27-20)18-22-10-11-25(18)2;1-11(2)26(23)19-16(20)15-13(12-6-4-3-5-7-12)10-14(22-18(15)25-19)17-21-8-9-24-17;1-3-4-9-27(24)18-14(19)13-11(15-20-5-7-23(15)2)10-12(22-17(13)26-18)16-21-6-8-25-16;1-2-3-8-26(22)17-13(18)12-10(14-19-4-6-23-14)9-11(21-16(12)25-17)15-20-5-7-24-15/h5-10,12H,3-4,11,23H2,1-2H3;5-11,13H,3-4,12,22H2,1-2H3;5-11H,3-4,12,21H2,1-2H3;3-11H,20H2,1-2H3;5-8,10H,3-4,9,19H2,1-2H3;4-7,9H,2-3,8,18H2,1H3.

What are the key properties of 2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 2531.51 g/mol, XLogP of 28.99, 35 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butylsulfinyl-4,6-bis(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;2-butylsulfinyl-4-(1-methylimidazol-2-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;methyl 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoate;4-phenyl-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 158023974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).