2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine

C113H102N26O14S18 — CID 157114502

About 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine

2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 157114502) has the molecular formula C113H102N26O14S18 and a molecular weight of 2625.43 g/mol. Its IUPAC name is 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine.

Molecular Properties

• Compound Name: 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine
• PubChem CID: 157114502
• Molecular Formula: C113H102N26O14S18
• Molecular Weight: 2625.43 g/mol
• Exact Mass: 2622.30
• IUPAC Name: 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine
• SMILES: C=CCS(=O)(=O)c1sc2nc(-c3nnco3)nc(-c3ccn[nH]3)c2c1C#N.C=S1CCCc2c1sc1nc(-c3ccc(C)s3)cc(OCCOC)c21.CCCCCS(=O)c1nc2ccc(-c3cccs3)nc2s1.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cccnc3)c2c1N.CCCS(=O)(=O)c1nc2c(OC(N)=O)nc(C)nc2s1.O=S(CC1CC1)c1cc2c(-c3ncccn3)nc(-c3nccs3)nc2s1.O=S(c1nc2c(-c3ccccc3)cc(-c3ncco3)nc2s1)C1CC1
• InChI: InChI=1S/C19H18N4OS3.C19H21NO2S3.C18H13N3O2S2.C17H13N5OS3.C15H9N7O3S2.C15H16N2OS3.C10H12N4O4S2/c1-2-3-9-27(24)19-16(20)15-13(12-5-4-6-21-11-12)10-14(23-18(15)26-19)17-22-7-8-25-17;1-12-6-7-16(23-12)14-11-15(22-9-8-21-2)17-13-5-4-10-25(3)19(13)24-18(17)20-14;22-25(12-6-7-12)18-21-15-13(11-4-2-1-3-5-11)10-14(20-17(15)24-18)16-19-8-9-23-16;23-26(9-10-2-3-10)12-8-11-13(14-18-4-1-5-19-14)21-15(22-16(11)25-12)17-20-6-7-24-17;1-2-5-27(23,24)15-8(6-16)10-11(9-3-4-17-21-9)19-12(20-14(10)26-15)13-22-18-7-25-13;1-2-3-4-10-21(18)15-17-12-8-7-11(16-14(12)20-15)13-6-5-9-19-13;1-3-4-20(16,17)10-14-6-7(18-9(11)15)12-5(2)13-8(6)19-10/h4-8,10-11H,2-3,9,20H2,1H3;6-7,11H,3-5,8-10H2,1-2H3;1-5,8-10,12H,6-7H2;1,4-8,10H,2-3,9H2;2-4,7H,1,5H2,(H,17,21);5-9H,2-4,10H2,1H3;3-4H2,1-2H3,(H2,11,15)
• InChIKey: AHFUKKXYMDLYEM-UHFFFAOYSA-N
• XLogP: 26.13
• TPSA: 582.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 49
• Rotatable Bonds: 35
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2625.43
LogP ≤ 5	26.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine?

The IUPAC name of 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine (CID 157114502) is 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine.

What is the SMILES notation for 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine?

The canonical SMILES for 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine is C=CCS(=O)(=O)c1sc2nc(-c3nnco3)nc(-c3ccn[nH]3)c2c1C#N.C=S1CCCc2c1sc1nc(-c3ccc(C)s3)cc(OCCOC)c21.CCCCCS(=O)c1nc2ccc(-c3cccs3)nc2s1.CCCCS(=O)c1sc2nc(-c3nccs3)cc(-c3cccnc3)c2c1N.CCCS(=O)(=O)c1nc2c(OC(N)=O)nc(C)nc2s1.O=S(CC1CC1)c1cc2c(-c3ncccn3)nc(-c3nccs3)nc2s1.O=S(c1nc2c(-c3ccccc3)cc(-c3ncco3)nc2s1)C1CC1.

What is the InChIKey of 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine?

The InChIKey is AHFUKKXYMDLYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS3.C19H21NO2S3.C18H13N3O2S2.C17H13N5OS3.C15H9N7O3S2.C15H16N2OS3.C10H12N4O4S2/c1-2-3-9-27(24)19-16(20)15-13(12-5-4-6-21-11-12)10-14(23-18(15)26-19)17-22-7-8-25-17;1-12-6-7-16(23-12)14-11-15(22-9-8-21-2)17-13-5-4-10-25(3)19(13)24-18(17)20-14;22-25(12-6-7-12)18-21-15-13(11-4-2-1-3-5-11)10-14(20-17(15)24-18)16-19-8-9-23-16;23-26(9-10-2-3-10)12-8-11-13(14-18-4-1-5-19-14)21-15(22-16(11)25-12)17-20-6-7-24-17;1-2-5-27(23,24)15-8(6-16)10-11(9-3-4-17-21-9)19-12(20-14(10)26-15)13-22-18-7-25-13;1-2-3-4-10-21(18)15-17-12-8-7-11(16-14(12)20-15)13-6-5-9-19-13;1-3-4-20(16,17)10-14-6-7(18-9(11)15)12-5(2)13-8(6)19-10/h4-8,10-11H,2-3,9,20H2,1H3;6-7,11H,3-5,8-10H2,1-2H3;1-5,8-10,12H,6-7H2;1,4-8,10H,2-3,9H2;2-4,7H,1,5H2,(H,17,21);5-9H,2-4,10H2,1H3;3-4H2,1-2H3,(H2,11,15).

What are the key properties of 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine?

2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine has a molecular weight of 2625.43 g/mol, XLogP of 26.13, 35 rotatable bonds, 3 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6λ4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine is sourced from PubChem (CID 157114502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).