[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;4-(2-amino-3-methylimidazol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methoxy-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C110H125N25O12S15 — CID 159044023

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;4-(2-amino-3-methylimidazol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methoxy-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2-cyclopropyl-3-methylimidazol-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;4-(2-amino-3-methylimidazol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methoxy-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 159044023) has the molecular formula C110H125N25O12S15 and a molecular weight of 2470.38 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;4-(2-amino-3-methylimidazol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methoxy-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2-cyclopropyl-3-methylimidazol-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;4-(2-amino-3-methylimidazol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methoxy-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• PubChem CID: 159044023
• Molecular Formula: C110H125N25O12S15
• Molecular Weight: 2470.38 g/mol
• Exact Mass: 2467.58
• 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;4-(2-amino-3-methylimidazol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methoxy-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
• SMILES: 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.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(N)n3C)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(OC)n3C)c2c1N.COCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C4CC4)n3C)c2c1N
• InChI: InChI=1S/C26H31N5O3S3.C26H30N4O4S3.C21H23N5O2S3.C19H21N5O2S3.C18H20N6OS3/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;1-26-15(11-24-18(26)12-4-5-12)13-10-14(19-23-6-8-29-19)25-20-16(13)17(22)21(30-20)31(27)9-3-7-28-2;1-4-5-8-29(25)18-15(20)14-11(13-10-22-19(26-3)24(13)2)9-12(23-17(14)28-18)16-21-6-7-27-16;1-3-4-7-28(25)17-14(19)13-10(12-9-22-18(20)24(12)2)8-11(23-16(13)27-17)15-21-5-6-26-15/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;6,8,10-12H,3-5,7,9,22H2,1-2H3;6-7,9-10H,4-5,8,20H2,1-3H3;5-6,8-9H,3-4,7,19H2,1-2H3,(H2,20,22)
• InChIKey: JWKSRPIOVAQYFV-UHFFFAOYSA-N
• XLogP: 23.79
• TPSA: 522.63 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 46
• Rotatable Bonds: 43
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2470.38
LogP ≤ 5	23.79
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	46

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;4-(2-amino-3-methylimidazol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methoxy-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2-cyclopropyl-3-methylimidazol-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;4-(2-amino-3-methylimidazol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methoxy-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 159044023) 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;4-(2-amino-3-methylimidazol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methoxy-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2-cyclopropyl-3-methylimidazol-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;4-(2-amino-3-methylimidazol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methoxy-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2-cyclopropyl-3-methylimidazol-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;4-(2-amino-3-methylimidazol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methoxy-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is 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.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(N)n3C)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(OC)n3C)c2c1N.COCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C4CC4)n3C)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;4-(2-amino-3-methylimidazol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methoxy-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?

The InChIKey is JWKSRPIOVAQYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S3.C26H30N4O4S3.C21H23N5O2S3.C19H21N5O2S3.C18H20N6OS3/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;1-26-15(11-24-18(26)12-4-5-12)13-10-14(19-23-6-8-29-19)25-20-16(13)17(22)21(30-20)31(27)9-3-7-28-2;1-4-5-8-29(25)18-15(20)14-11(13-10-22-19(26-3)24(13)2)9-12(23-17(14)28-18)16-21-6-7-27-16;1-3-4-7-28(25)17-14(19)13-10(12-9-22-18(20)24(12)2)8-11(23-16(13)27-17)15-21-5-6-26-15/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;6,8,10-12H,3-5,7,9,22H2,1-2H3;6-7,9-10H,4-5,8,20H2,1-3H3;5-6,8-9H,3-4,7,19H2,1-2H3,(H2,20,22).

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 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;4-(2-amino-3-methylimidazol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methoxy-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2-cyclopropyl-3-methylimidazol-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;4-(2-amino-3-methylimidazol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methoxy-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 2470.38 g/mol, XLogP of 23.79, 43 rotatable bonds, 7 hydrogen bond donors, and 46 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;4-(2-amino-3-methylimidazol-4-yl)-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methoxy-3-methylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;4-(2-cyclopropyl-3-methylimidazol-4-yl)-2-(3-methoxypropylsulfinyl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 159044023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).