[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine

C109H124N24O11S12 — CID 159160704

About [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine

[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine (PubChem CID 159160704) has the molecular formula C109H124N24O11S12 and a molecular weight of 2331.15 g/mol. Its IUPAC name is [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)-1H-pyrrolo[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]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine
• PubChem CID: 159160704
• Molecular Formula: C109H124N24O11S12
• Molecular Weight: 2331.15 g/mol
• Exact Mass: 2328.65
• IUPAC Name: [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine
• SMILES: CCCCS(=O)c1[nH]c2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.CCCCS(=O)c1cc2c(-c3cnc(C)n3C)cc(-c3nccs3)nc2[nH]1.CCCCS(=O)c1cc2c(-c3cnc(C)n3C)cc(-c3nccs3)nc2o1.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COC(=O)NCCN(C)C)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COC(=O)OCCN(C)C)cc3)c2c1N
• InChI: InChI=1S/C26H31N5O3S3.C26H30N4O4S3.C19H22N6OS2.C19H21N5OS2.C19H20N4O2S2/c1-4-5-14-37(33)25-22(27)21-19(15-20(30-24(21)36-25)23-28-11-13-35-23)18-8-6-17(7-9-18)16-34-26(32)29-10-12-31(2)3;1-4-5-14-37(32)25-22(27)21-19(15-20(29-24(21)36-25)23-28-10-13-35-23)18-8-6-17(7-9-18)16-34-26(31)33-12-11-30(2)3;1-4-5-8-28(26)19-16(20)15-12(14-10-22-11(2)25(14)3)9-13(23-17(15)24-19)18-21-6-7-27-18;1-4-5-8-27(25)17-10-14-13(16-11-21-12(2)24(16)3)9-15(22-18(14)23-17)19-20-6-7-26-19;1-4-5-8-27(24)17-10-14-13(16-11-21-12(2)23(16)3)9-15(22-18(14)25-17)19-20-6-7-26-19/h6-9,11,13,15H,4-5,10,12,14,16,27H2,1-3H3,(H,29,32);6-10,13,15H,4-5,11-12,14,16,27H2,1-3H3;6-7,9-10H,4-5,8,20H2,1-3H3,(H,23,24);6-7,9-11H,4-5,8H2,1-3H3,(H,22,23);6-7,9-11H,4-5,8H2,1-3H3
• InChIKey: KKLHJNRFYHGZGV-UHFFFAOYSA-N
• XLogP: 23.91
• TPSA: 470.83 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 40
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2331.15
LogP ≤ 5	23.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

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]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)-1H-pyrrolo[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]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine (CID 159160704) is [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)-1H-pyrrolo[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]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)-1H-pyrrolo[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]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine is CCCCS(=O)c1[nH]c2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N.CCCCS(=O)c1cc2c(-c3cnc(C)n3C)cc(-c3nccs3)nc2[nH]1.CCCCS(=O)c1cc2c(-c3cnc(C)n3C)cc(-c3nccs3)nc2o1.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COC(=O)NCCN(C)C)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COC(=O)OCCN(C)C)cc3)c2c1N.

What is the InChIKey of [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine?

The InChIKey is KKLHJNRFYHGZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S3.C26H30N4O4S3.C19H22N6OS2.C19H21N5OS2.C19H20N4O2S2/c1-4-5-14-37(33)25-22(27)21-19(15-20(30-24(21)36-25)23-28-11-13-35-23)18-8-6-17(7-9-18)16-34-26(32)29-10-12-31(2)3;1-4-5-14-37(32)25-22(27)21-19(15-20(29-24(21)36-25)23-28-10-13-35-23)18-8-6-17(7-9-18)16-34-26(31)33-12-11-30(2)3;1-4-5-8-28(26)19-16(20)15-12(14-10-22-11(2)25(14)3)9-13(23-17(15)24-19)18-21-6-7-27-18;1-4-5-8-27(25)17-10-14-13(16-11-21-12(2)24(16)3)9-15(22-18(14)23-17)19-20-6-7-26-19;1-4-5-8-27(24)17-10-14-13(16-11-21-12(2)23(16)3)9-15(22-18(14)25-17)19-20-6-7-26-19/h6-9,11,13,15H,4-5,10,12,14,16,27H2,1-3H3,(H,29,32);6-10,13,15H,4-5,11-12,14,16,27H2,1-3H3;6-7,9-10H,4-5,8,20H2,1-3H3,(H,23,24);6-7,9-11H,4-5,8H2,1-3H3,(H,22,23);6-7,9-11H,4-5,8H2,1-3H3.

What are the key properties of [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine?

[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine has a molecular weight of 2331.15 g/mol, XLogP of 23.91, 40 rotatable bonds, 6 hydrogen bond donors, and 39 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]phenyl]methyl N-[2-(dimethylamino)ethyl]carbamate;[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;2-[2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-1,3-thiazole;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-amine is sourced from PubChem (CID 159160704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).