4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C94H92N22O8S13 — CID 157477462

About 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 157477462) has the molecular formula C94H92N22O8S13 and a molecular weight of 2074.79 g/mol. Its IUPAC name is 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• PubChem CID: 157477462
• Molecular Formula: C94H92N22O8S13
• Molecular Weight: 2074.79 g/mol
• Exact Mass: 2072.38
• IUPAC Name: 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• SMILES: CC(C)S(=O)c1sc2nc(-c3nccs3)cc(-c3nccn3C)c2c1N.CCCCS(=O)c1sc2nc(-c3cocn3)nc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccn3C)nc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(C(=O)O)cc3)c2c1N.CCCS(=O)c1sc2nc(-c3nccs3)cc(-c3nccn3C)c2c1N
• InChI: InChI=1S/C21H19N3O3S3.C20H21N5OS2.C19H18N4O2S2.2C17H17N5OS3/c1-2-3-10-30(27)21-17(22)16-14(12-4-6-13(7-5-12)20(25)26)11-15(24-19(16)29-21)18-23-8-9-28-18;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;1-2-3-9-27(24)19-15(20)14-16(12-7-5-4-6-8-12)22-17(23-18(14)26-19)13-10-25-11-21-13;1-9(2)26(23)17-13(18)12-10(14-19-4-6-22(14)3)8-11(21-16(12)25-17)15-20-5-7-24-15;1-3-8-26(23)17-13(18)12-10(14-19-4-6-22(14)2)9-11(21-16(12)25-17)15-20-5-7-24-15/h4-9,11H,2-3,10,22H2,1H3,(H,25,26);5-11H,3-4,12,21H2,1-2H3;4-8,10-11H,2-3,9,20H2,1H3;4-9H,18H2,1-3H3;4-7,9H,3,8,18H2,1-2H3
• InChIKey: BVTMNHVQIVLROJ-UHFFFAOYSA-N
• XLogP: 21.87
• TPSA: 461.14 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 37
• Rotatable Bonds: 28
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2074.79
LogP ≤ 5	21.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

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

The IUPAC name of 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 157477462) is 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

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

The canonical SMILES for 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is CC(C)S(=O)c1sc2nc(-c3nccs3)cc(-c3nccn3C)c2c1N.CCCCS(=O)c1sc2nc(-c3cocn3)nc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccn3C)nc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(C(=O)O)cc3)c2c1N.CCCS(=O)c1sc2nc(-c3nccs3)cc(-c3nccn3C)c2c1N.

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

The InChIKey is BVTMNHVQIVLROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S3.C20H21N5OS2.C19H18N4O2S2.2C17H17N5OS3/c1-2-3-10-30(27)21-17(22)16-14(12-4-6-13(7-5-12)20(25)26)11-15(24-19(16)29-21)18-23-8-9-28-18;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;1-2-3-9-27(24)19-15(20)14-16(12-7-5-4-6-8-12)22-17(23-18(14)26-19)13-10-25-11-21-13;1-9(2)26(23)17-13(18)12-10(14-19-4-6-22(14)3)8-11(21-16(12)25-17)15-20-5-7-24-15;1-3-8-26(23)17-13(18)12-10(14-19-4-6-22(14)2)9-11(21-16(12)25-17)15-20-5-7-24-15/h4-9,11H,2-3,10,22H2,1H3,(H,25,26);5-11H,3-4,12,21H2,1-2H3;4-8,10-11H,2-3,9,20H2,1H3;4-9H,18H2,1-3H3;4-7,9H,3,8,18H2,1-2H3.

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

4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 2074.79 g/mol, XLogP of 21.87, 28 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]benzoic acid;6-butylsulfinyl-2-(1-methylimidazol-2-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;6-butylsulfinyl-2-(1,3-oxazol-4-yl)-4-phenylthieno[2,3-d]pyrimidin-5-amine;4-(1-methylimidazol-2-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(1-methylimidazol-2-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 157477462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).