[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;4-(2-amino-3H-pyrrol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;4-(2-cyclopropyl-3H-pyrrol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine

C104H110N18O10S13 — CID 160703234

About [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;4-(2-amino-3H-pyrrol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;4-(2-cyclopropyl-3H-pyrrol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine

[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;4-(2-amino-3H-pyrrol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;4-(2-cyclopropyl-3H-pyrrol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine (PubChem CID 160703234) has the molecular formula C104H110N18O10S13 and a molecular weight of 2189.01 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 2-(dimethylamino)ethyl carbonate;4-(2-amino-3H-pyrrol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;4-(2-cyclopropyl-3H-pyrrol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine.

Molecular Properties

• Compound Name: [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;4-(2-amino-3H-pyrrol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;4-(2-cyclopropyl-3H-pyrrol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine
• PubChem CID: 160703234
• Molecular Formula: C104H110N18O10S13
• Molecular Weight: 2189.01 g/mol
• Exact Mass: 2186.50
• IUPAC Name: [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;4-(2-amino-3H-pyrrol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;4-(2-cyclopropyl-3H-pyrrol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine
• SMILES: CCCCS(=O)C1=Cc2c(C3=CN=C(C)C3)cc(-c3nccs3)nc2C1.CCCCS(=O)c1cc2c(C3=CN=C(C)C3)cc(-c3nccs3)nc2o1.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COC(=O)OCCN(C)C)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(C3=CN=C(N)C3)c2c1N.COCCCS(=O)c1cc2c(C3=CN=C(C4CC4)C3)cc(-c3nccs3)nc2s1
• InChI: InChI=1S/C26H30N4O4S3.C21H21N3O2S3.C20H21N3OS2.C19H19N3O2S2.C18H19N5OS3/c1-4-5-14-37(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;1-26-6-2-8-29(25)19-11-16-15(14-9-17(23-12-14)13-3-4-13)10-18(24-20(16)28-19)21-22-5-7-27-21;1-3-4-7-26(24)15-9-17-16(14-8-13(2)22-12-14)11-19(23-18(17)10-15)20-21-5-6-25-20;1-3-4-7-26(23)17-10-15-14(13-8-12(2)21-11-13)9-16(22-18(15)24-17)19-20-5-6-25-19;1-2-3-6-27(24)18-15(20)14-11(10-7-13(19)22-9-10)8-12(23-17(14)26-18)16-21-4-5-25-16/h6-10,13,15H,4-5,11-12,14,16,27H2,1-3H3;5,7,10-13H,2-4,6,8-9H2,1H3;5-6,9,11-12H,3-4,7-8,10H2,1-2H3;5-6,9-11H,3-4,7-8H2,1-2H3;4-5,8-9H,2-3,6-7,20H2,1H3,(H2,19,22)
• InChIKey: RQWVAAOFFNFGMC-UHFFFAOYSA-N
• XLogP: 24.88
• TPSA: 402.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 36
• Rotatable Bonds: 37
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2189.01
LogP ≤ 5	24.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

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 2-(dimethylamino)ethyl carbonate;4-(2-amino-3H-pyrrol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;4-(2-cyclopropyl-3H-pyrrol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine?

The IUPAC name of [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;4-(2-amino-3H-pyrrol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;4-(2-cyclopropyl-3H-pyrrol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine (CID 160703234) is [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;4-(2-amino-3H-pyrrol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;4-(2-cyclopropyl-3H-pyrrol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine.

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 2-(dimethylamino)ethyl carbonate;4-(2-amino-3H-pyrrol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;4-(2-cyclopropyl-3H-pyrrol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine?

The canonical SMILES for [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;4-(2-amino-3H-pyrrol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;4-(2-cyclopropyl-3H-pyrrol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine is CCCCS(=O)C1=Cc2c(C3=CN=C(C)C3)cc(-c3nccs3)nc2C1.CCCCS(=O)c1cc2c(C3=CN=C(C)C3)cc(-c3nccs3)nc2o1.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COC(=O)OCCN(C)C)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(C3=CN=C(N)C3)c2c1N.COCCCS(=O)c1cc2c(C3=CN=C(C4CC4)C3)cc(-c3nccs3)nc2s1.

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 2-(dimethylamino)ethyl carbonate;4-(2-amino-3H-pyrrol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;4-(2-cyclopropyl-3H-pyrrol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine?

The InChIKey is RQWVAAOFFNFGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S3.C21H21N3O2S3.C20H21N3OS2.C19H19N3O2S2.C18H19N5OS3/c1-4-5-14-37(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;1-26-6-2-8-29(25)19-11-16-15(14-9-17(23-12-14)13-3-4-13)10-18(24-20(16)28-19)21-22-5-7-27-21;1-3-4-7-26(24)15-9-17-16(14-8-13(2)22-12-14)11-19(23-18(17)10-15)20-21-5-6-25-20;1-3-4-7-26(23)17-10-15-14(13-8-12(2)21-11-13)9-16(22-18(15)24-17)19-20-5-6-25-19;1-2-3-6-27(24)18-15(20)14-11(10-7-13(19)22-9-10)8-12(23-17(14)26-18)16-21-4-5-25-16/h6-10,13,15H,4-5,11-12,14,16,27H2,1-3H3;5,7,10-13H,2-4,6,8-9H2,1H3;5-6,9,11-12H,3-4,7-8,10H2,1-2H3;5-6,9-11H,3-4,7-8H2,1-2H3;4-5,8-9H,2-3,6-7,20H2,1H3,(H2,19,22).

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 2-(dimethylamino)ethyl carbonate;4-(2-amino-3H-pyrrol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;4-(2-cyclopropyl-3H-pyrrol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine?

[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl 2-(dimethylamino)ethyl carbonate;4-(2-amino-3H-pyrrol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;4-(2-cyclopropyl-3H-pyrrol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine has a molecular weight of 2189.01 g/mol, XLogP of 24.88, 37 rotatable bonds, 3 hydrogen bond donors, and 36 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 2-(dimethylamino)ethyl carbonate;4-(2-amino-3H-pyrrol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-[6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-7H-cyclopenta[b]pyridin-2-yl]-1,3-thiazole;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridine;4-(2-cyclopropyl-3H-pyrrol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine is sourced from PubChem (CID 160703234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).