[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-[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]pyridin-3-amine

C112H123N19O12S13 — CID 159044428

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-[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]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-[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]pyridin-3-amine (PubChem CID 159044428) has the molecular formula C112H123N19O12S13 and a molecular weight of 2344.21 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-[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]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-[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]pyridin-3-amine
• PubChem CID: 159044428
• Molecular Formula: C112H123N19O12S13
• Molecular Weight: 2344.21 g/mol
• Exact Mass: 2341.60
• 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-[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]pyridin-3-amine
• 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)NCCN(C)C)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COC(=O)OCCN(C)C)cc3)c2c1N.COCCCS(=O)c1sc2nc(-c3nccs3)cc(C3=CN=C(C4CC4)C3)c2c1N
• InChI: InChI=1S/C26H31N5O3S3.C26H30N4O4S3.C21H22N4O2S3.C20H21N3OS2.C19H19N3O2S2/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;1-27-6-2-8-30(26)21-18(22)17-14(13-9-15(24-11-13)12-3-4-12)10-16(25-20(17)29-21)19-23-5-7-28-19;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/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;5,7,10-12H,2-4,6,8-9,22H2,1H3;5-6,9,11-12H,3-4,7-8,10H2,1-2H3;5-6,9-11H,3-4,7-8H2,1-2H3
• InChIKey: JWLYDIXTSHOGEH-UHFFFAOYSA-N
• XLogP: 25.82
• TPSA: 432.10 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 42
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2344.21
LogP ≤ 5	25.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

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 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-[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]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-[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]pyridin-3-amine (CID 159044428) 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-[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]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-[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]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-[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]pyridin-3-amine 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)NCCN(C)C)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COC(=O)OCCN(C)C)cc3)c2c1N.COCCCS(=O)c1sc2nc(-c3nccs3)cc(C3=CN=C(C4CC4)C3)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-[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]pyridin-3-amine?

The InChIKey is JWLYDIXTSHOGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S3.C26H30N4O4S3.C21H22N4O2S3.C20H21N3OS2.C19H19N3O2S2/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;1-27-6-2-8-30(26)21-18(22)17-14(13-9-15(24-11-13)12-3-4-12)10-16(25-20(17)29-21)19-23-5-7-28-19;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/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;5,7,10-12H,2-4,6,8-9,22H2,1H3;5-6,9,11-12H,3-4,7-8,10H2,1-2H3;5-6,9-11H,3-4,7-8H2,1-2H3.

What are the key properties of [4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]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-[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]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-[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]pyridin-3-amine has a molecular weight of 2344.21 g/mol, XLogP of 25.82, 42 rotatable bonds, 4 hydrogen bond donors, and 38 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-[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]pyridin-3-amine is sourced from PubChem (CID 159044428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).