2-(4-chlorobutylsulfinyl)-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-chloropropylsulfinyl)-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)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)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-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

C109H115Cl2N31O8S18 — CID 158148763

About 2-(4-chlorobutylsulfinyl)-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-chloropropylsulfinyl)-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)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)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-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-(4-chlorobutylsulfinyl)-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-chloropropylsulfinyl)-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)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)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-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 158148763) has the molecular formula C109H115Cl2N31O8S18 and a molecular weight of 2635.44 g/mol. Its IUPAC name is 2-(4-chlorobutylsulfinyl)-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-chloropropylsulfinyl)-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)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)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-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-(4-chlorobutylsulfinyl)-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-chloropropylsulfinyl)-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)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)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-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: 158148763
• Molecular Formula: C109H115Cl2N31O8S18
• Molecular Weight: 2635.44 g/mol
• Exact Mass: 2631.39
• IUPAC Name: 2-(4-chlorobutylsulfinyl)-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-chloropropylsulfinyl)-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)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)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-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: CCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.CCOCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.COCCS(=O)c1sc2nc(-c3nccs3)nc(-c3cnc(C)n3C)c2c1N.Cc1ncc(-c2cc(-c3nccs3)nc3sc(S(=O)C(C)C)c(N)c23)n1C.Cc1ncc(-c2cc(-c3nccs3)nc3sc(S(=O)CCCCCl)c(N)c23)n1C.Cc1ncc(-c2cc(-c3nccs3)nc3sc(S(=O)CCCCl)c(N)c23)n1C
• InChI: InChI=1S/C19H20ClN5OS3.C19H21N5O2S3.C18H18ClN5OS3.2C18H19N5OS3.C17H18N6O2S3/c1-11-23-10-14(25(11)2)12-9-13(17-22-6-7-27-17)24-18-15(12)16(21)19(28-18)29(26)8-4-3-5-20;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;1-10-22-9-13(24(10)2)11-8-12(16-21-5-6-26-16)23-17-14(11)15(20)18(27-17)28(25)7-3-4-19;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;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/h6-7,9-10H,3-5,8,21H2,1-2H3;5,7,9-10H,4,6,8,20H2,1-3H3;5-6,8-9H,3-4,7,20H2,1-2H3;5-9H,19H2,1-4H3;5-6,8-9H,4,7,19H2,1-3H3;4,6,8H,5,7,18H2,1-3H3
• InChIKey: FUVLBHUOMOPFMR-UHFFFAOYSA-N
• XLogP: 24.46
• TPSA: 551.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 51
• Rotatable Bonds: 35
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2635.44
LogP ≤ 5	24.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	51

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobutylsulfinyl)-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-chloropropylsulfinyl)-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)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)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-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-(4-chlorobutylsulfinyl)-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-chloropropylsulfinyl)-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)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)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-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 158148763) is 2-(4-chlorobutylsulfinyl)-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-chloropropylsulfinyl)-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)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)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-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-(4-chlorobutylsulfinyl)-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-chloropropylsulfinyl)-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)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)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-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-(4-chlorobutylsulfinyl)-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-chloropropylsulfinyl)-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)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)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-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 CCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.CCOCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.COCCS(=O)c1sc2nc(-c3nccs3)nc(-c3cnc(C)n3C)c2c1N.Cc1ncc(-c2cc(-c3nccs3)nc3sc(S(=O)C(C)C)c(N)c23)n1C.Cc1ncc(-c2cc(-c3nccs3)nc3sc(S(=O)CCCCCl)c(N)c23)n1C.Cc1ncc(-c2cc(-c3nccs3)nc3sc(S(=O)CCCCl)c(N)c23)n1C.

What is the InChIKey of 2-(4-chlorobutylsulfinyl)-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-chloropropylsulfinyl)-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)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)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-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 FUVLBHUOMOPFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5OS3.C19H21N5O2S3.C18H18ClN5OS3.2C18H19N5OS3.C17H18N6O2S3/c1-11-23-10-14(25(11)2)12-9-13(17-22-6-7-27-17)24-18-15(12)16(21)19(28-18)29(26)8-4-3-5-20;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;1-10-22-9-13(24(10)2)11-8-12(16-21-5-6-26-16)23-17-14(11)15(20)18(27-17)28(25)7-3-4-19;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;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/h6-7,9-10H,3-5,8,21H2,1-2H3;5,7,9-10H,4,6,8,20H2,1-3H3;5-6,8-9H,3-4,7,20H2,1-2H3;5-9H,19H2,1-4H3;5-6,8-9H,4,7,19H2,1-3H3;4,6,8H,5,7,18H2,1-3H3.

What are the key properties of 2-(4-chlorobutylsulfinyl)-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-chloropropylsulfinyl)-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)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)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-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-(4-chlorobutylsulfinyl)-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-chloropropylsulfinyl)-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)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)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-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 2635.44 g/mol, XLogP of 24.46, 35 rotatable bonds, 6 hydrogen bond donors, and 51 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chlorobutylsulfinyl)-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-(3-chloropropylsulfinyl)-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)-2-(2-ethoxyethylsulfinyl)-6-(1,3-thiazol-2-yl)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-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 158148763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).