2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C101H113N25O7S15 — CID 159956845

About 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 159956845) has the molecular formula C101H113N25O7S15 and a molecular weight of 2270.19 g/mol. Its IUPAC name is 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• PubChem CID: 159956845
• Molecular Formula: C101H113N25O7S15
• Molecular Weight: 2270.19 g/mol
• Exact Mass: 2267.51
• IUPAC Name: 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• SMILES: CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(OCCN4CCN(C)CC4)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.CCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.CCOCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.Cc1ncc(-c2cc(-c3nccs3)nc3sc(S(=O)C(C)C)c(N)c23)n1C
• InChI: InChI=1S/C27H33N5O2S3.C19H21N5O2S3.C19H21N5OS3.2C18H19N5OS3/c1-3-4-17-37(33)27-24(28)23-21(18-22(30-26(23)36-27)25-29-9-16-35-25)19-5-7-20(8-6-19)34-15-14-32-12-10-31(2)11-13-32;1-4-26-6-8-29(25)19-16(20)15-12(14-10-22-11(2)24(14)3)9-13(23-18(15)28-19)17-21-5-7-27-17;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(2)27(24)18-15(19)14-11(13-8-21-10(3)23(13)4)7-12(22-17(14)26-18)16-20-5-6-25-16;1-4-7-27(24)18-15(19)14-11(13-9-21-10(2)23(13)3)8-12(22-17(14)26-18)16-20-5-6-25-16/h5-9,16,18H,3-4,10-15,17,28H2,1-2H3;5,7,9-10H,4,6,8,20H2,1-3H3;6-7,9-10H,4-5,8,20H2,1-3H3;5-9H,19H2,1-4H3;5-6,8-9H,4,7,19H2,1-3H3
• InChIKey: OCVASYSDFGIXBZ-UHFFFAOYSA-N
• XLogP: 22.13
• TPSA: 440.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 42
• Rotatable Bonds: 32
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2270.19
LogP ≤ 5	22.13
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The IUPAC name of 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 159956845) is 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(OCCN4CCN(C)CC4)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.CCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.CCOCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.Cc1ncc(-c2cc(-c3nccs3)nc3sc(S(=O)C(C)C)c(N)c23)n1C.

What is the InChIKey of 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The InChIKey is OCVASYSDFGIXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2S3.C19H21N5O2S3.C19H21N5OS3.2C18H19N5OS3/c1-3-4-17-37(33)27-24(28)23-21(18-22(30-26(23)36-27)25-29-9-16-35-25)19-5-7-20(8-6-19)34-15-14-32-12-10-31(2)11-13-32;1-4-26-6-8-29(25)19-16(20)15-12(14-10-22-11(2)24(14)3)9-13(23-18(15)28-19)17-21-5-7-27-17;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(2)27(24)18-15(19)14-11(13-8-21-10(3)23(13)4)7-12(22-17(14)26-18)16-20-5-6-25-16;1-4-7-27(24)18-15(19)14-11(13-9-21-10(2)23(13)3)8-12(22-17(14)26-18)16-20-5-6-25-16/h5-9,16,18H,3-4,10-15,17,28H2,1-2H3;5,7,9-10H,4,6,8,20H2,1-3H3;6-7,9-10H,4-5,8,20H2,1-3H3;5-9H,19H2,1-4H3;5-6,8-9H,4,7,19H2,1-3H3.

What are the key properties of 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 2270.19 g/mol, XLogP of 22.13, 32 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propan-2-ylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2,3-dimethylimidazol-4-yl)-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 159956845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).