[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]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(4-cyclopropylcyclopenta-1,3-dien-1-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C124H133N23O11S16 — CID 157156767

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]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(4-cyclopropylcyclopenta-1,3-dien-1-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 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]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(4-cyclopropylcyclopenta-1,3-dien-1-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 157156767) has the molecular formula C124H133N23O11S16 and a molecular weight of 2634.65 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]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(4-cyclopropylcyclopenta-1,3-dien-1-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 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]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(4-cyclopropylcyclopenta-1,3-dien-1-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• PubChem CID: 157156767
• Molecular Formula: C124H133N23O11S16
• Molecular Weight: 2634.65 g/mol
• Exact Mass: 2631.61
• 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]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(4-cyclopropylcyclopenta-1,3-dien-1-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)c1oc2nc(-c3nccs3)cc(C3=CN=C(C)C3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COC(=O)OCCN(C)C)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(C3=CN=C(C)C3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(C3=CN=C(N)C3)c2c1N.COCCCS(=O)c1sc2nc(-c3nccs3)cc(C3=CC=C(C4CC4)C3)c2c1N
• InChI: InChI=1S/C26H30N4O4S3.C22H23N3O2S3.C20H21N3OS2.C19H20N4O2S2.C19H20N4OS3.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;1-27-8-2-10-30(26)22-19(23)18-16(15-6-5-14(11-15)13-3-4-13)12-17(25-21(18)29-22)20-24-7-9-28-20;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;1-3-4-7-27(24)19-16(20)15-13(12-8-11(2)22-10-12)9-14(23-17(15)25-19)18-21-5-6-26-18;1-3-4-7-27(24)19-16(20)15-13(12-8-11(2)22-10-12)9-14(23-18(15)26-19)17-21-5-6-25-17;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;5-7,9,12-13H,2-4,8,10-11,23H2,1H3;5-6,9,11-12H,3-4,7-8,10H2,1-2H3;2*5-6,9-10H,3-4,7-8,20H2,1-2H3;4-5,8-9H,2-3,6-7,20H2,1H3,(H2,19,22)
• InChIKey: ALWZZEGVXZCUAM-UHFFFAOYSA-N
• XLogP: 29.69
• TPSA: 523.80 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 44
• Rotatable Bonds: 43
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2634.65
LogP ≤ 5	29.69
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	44

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]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(4-cyclopropylcyclopenta-1,3-dien-1-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 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]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(4-cyclopropylcyclopenta-1,3-dien-1-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 157156767) 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]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(4-cyclopropylcyclopenta-1,3-dien-1-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 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]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(4-cyclopropylcyclopenta-1,3-dien-1-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 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]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(4-cyclopropylcyclopenta-1,3-dien-1-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)c1oc2nc(-c3nccs3)cc(C3=CN=C(C)C3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(COC(=O)OCCN(C)C)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(C3=CN=C(C)C3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(C3=CN=C(N)C3)c2c1N.COCCCS(=O)c1sc2nc(-c3nccs3)cc(C3=CC=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 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]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(4-cyclopropylcyclopenta-1,3-dien-1-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The InChIKey is ALWZZEGVXZCUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S3.C22H23N3O2S3.C20H21N3OS2.C19H20N4O2S2.C19H20N4OS3.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;1-27-8-2-10-30(26)22-19(23)18-16(15-6-5-14(11-15)13-3-4-13)12-17(25-21(18)29-22)20-24-7-9-28-20;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;1-3-4-7-27(24)19-16(20)15-13(12-8-11(2)22-10-12)9-14(23-17(15)25-19)18-21-5-6-26-18;1-3-4-7-27(24)19-16(20)15-13(12-8-11(2)22-10-12)9-14(23-18(15)26-19)17-21-5-6-25-17;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;5-7,9,12-13H,2-4,8,10-11,23H2,1H3;5-6,9,11-12H,3-4,7-8,10H2,1-2H3;2*5-6,9-10H,3-4,7-8,20H2,1-2H3;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]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(4-cyclopropylcyclopenta-1,3-dien-1-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 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]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(4-cyclopropylcyclopenta-1,3-dien-1-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 2634.65 g/mol, XLogP of 29.69, 43 rotatable bonds, 6 hydrogen bond donors, and 44 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]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(4-cyclopropylcyclopenta-1,3-dien-1-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 157156767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).