1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methylpyrazol-3-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

C105H114N20O9S16 — CID 161301033

IUPAC1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methylpyrazol-3-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCCCS(=O)c1sc2nc(-c3nc(C)cs3)cc(-c3cnc(C)n3C)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(C(C)(C)O)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(C(C)O)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(CNS(C)(=O)=O)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccnn3C)c2c1N
InChIInChI=1S/C23H25N3O2S3.C22H24N4O3S4.C22H23N3O2S3.C20H23N5OS3.C18H19N5OS3/c1-4-5-12-31(28)22-19(24)18-16(14-6-8-15(9-7-14)23(2,3)27)13-17(26-21(18)30-22)20-25-10-11-29-20;1-3-4-11-32(27)22-19(23)18-16(12-17(26-21(18)31-22)20-24-9-10-30-20)15-7-5-14(6-8-15)13-25-33(2,28)29;1-3-4-11-30(27)22-19(23)18-16(15-7-5-14(6-8-15)13(2)26)12-17(25-21(18)29-22)20-24-9-10-28-20;1-5-6-7-29(26)20-17(21)16-13(15-9-22-12(3)25(15)4)8-14(24-19(16)28-20)18-23-11(2)10-27-18;1-3-4-9-27(24)18-15(19)14-11(13-5-6-21-23(13)2)10-12(22-17(14)26-18)16-20-7-8-25-16/h6-11,13,27H,4-5,12,24H2,1-3H3;5-10,12,25H,3-4,11,13,23H2,1-2H3;5-10,12-13,26H,3-4,11,23H2,1-2H3;8-10H,5-7,21H2,1-4H3;5-8,10H,3-4,9,19H2,1-2H3
InChIKeyVHPUWHITENCVHQ-UHFFFAOYSA-N
MW2313.27 g/mol
LogP25.30
Rot. Bonds35

About 1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methylpyrazol-3-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine

1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methylpyrazol-3-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 161301033) has the molecular formula C105H114N20O9S16 and a molecular weight of 2313.27 g/mol. Its IUPAC name is 1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methylpyrazol-3-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methylpyrazol-3-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
PubChem CID161301033
Molecular FormulaC105H114N20O9S16
Molecular Weight2313.27 g/mol
Exact Mass2310.46
IUPAC Name1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methylpyrazol-3-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCCCCS(=O)c1sc2nc(-c3nc(C)cs3)cc(-c3cnc(C)n3C)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(C(C)(C)O)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(C(C)O)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(CNS(C)(=O)=O)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccnn3C)c2c1N
InChIInChI=1S/C23H25N3O2S3.C22H24N4O3S4.C22H23N3O2S3.C20H23N5OS3.C18H19N5OS3/c1-4-5-12-31(28)22-19(24)18-16(14-6-8-15(9-7-14)23(2,3)27)13-17(26-21(18)30-22)20-25-10-11-29-20;1-3-4-11-32(27)22-19(23)18-16(12-17(26-21(18)31-22)20-24-9-10-30-20)15-7-5-14(6-8-15)13-25-33(2,28)29;1-3-4-11-30(27)22-19(23)18-16(15-7-5-14(6-8-15)13(2)26)12-17(25-21(18)29-22)20-24-9-10-28-20;1-5-6-7-29(26)20-17(21)16-13(15-9-22-12(3)25(15)4)8-14(24-19(16)28-20)18-23-11(2)10-27-18;1-3-4-9-27(24)18-15(19)14-11(13-5-6-21-23(13)2)10-12(22-17(14)26-18)16-20-7-8-25-16/h6-11,13,27H,4-5,12,24H2,1-3H3;5-10,12,25H,3-4,11,13,23H2,1-2H3;5-10,12-13,26H,3-4,11,23H2,1-2H3;8-10H,5-7,21H2,1-4H3;5-8,10H,3-4,9,19H2,1-2H3
InChIKeyVHPUWHITENCVHQ-UHFFFAOYSA-N
XLogP25.30
TPSA466.62 Ų
H-Bond Donors8
H-Bond Acceptors38
Rotatable Bonds35
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002313.27
LogP ≤ 525.30
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1038

Analyze 1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methylpyrazol-3-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methylpyrazol-3-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methylpyrazol-3-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 161301033) is 1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methylpyrazol-3-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methylpyrazol-3-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methylpyrazol-3-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is CCCCS(=O)c1sc2nc(-c3nc(C)cs3)cc(-c3cnc(C)n3C)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(C(C)(C)O)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(C(C)O)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccc(CNS(C)(=O)=O)cc3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3ccnn3C)c2c1N.
What is the InChIKey of 1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methylpyrazol-3-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is VHPUWHITENCVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S3.C22H24N4O3S4.C22H23N3O2S3.C20H23N5OS3.C18H19N5OS3/c1-4-5-12-31(28)22-19(24)18-16(14-6-8-15(9-7-14)23(2,3)27)13-17(26-21(18)30-22)20-25-10-11-29-20;1-3-4-11-32(27)22-19(23)18-16(12-17(26-21(18)31-22)20-24-9-10-30-20)15-7-5-14(6-8-15)13-25-33(2,28)29;1-3-4-11-30(27)22-19(23)18-16(15-7-5-14(6-8-15)13(2)26)12-17(25-21(18)29-22)20-24-9-10-28-20;1-5-6-7-29(26)20-17(21)16-13(15-9-22-12(3)25(15)4)8-14(24-19(16)28-20)18-23-11(2)10-27-18;1-3-4-9-27(24)18-15(19)14-11(13-5-6-21-23(13)2)10-12(22-17(14)26-18)16-20-7-8-25-16/h6-11,13,27H,4-5,12,24H2,1-3H3;5-10,12,25H,3-4,11,13,23H2,1-2H3;5-10,12-13,26H,3-4,11,23H2,1-2H3;8-10H,5-7,21H2,1-4H3;5-8,10H,3-4,9,19H2,1-2H3.
What are the key properties of 1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methylpyrazol-3-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine?
1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methylpyrazol-3-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 2313.27 g/mol, XLogP of 25.30, 35 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]ethanol;N-[[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]methyl]methanesulfonamide;2-[4-[3-amino-2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-4-yl]phenyl]propan-2-ol;2-butylsulfinyl-4-(2,3-dimethylimidazol-4-yl)-6-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methylpyrazol-3-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 161301033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).