2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(methyl-methylidene-oxo-λ6-sulfanyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

C₁₀₄H₁₀₇N₁₃O₆S₁₇ — CID 159321170

About 2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(methyl-methylidene-oxo-λ6-sulfanyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine

2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(methyl-methylidene-oxo-λ6-sulfanyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (PubChem CID 159321170) has the molecular formula C₁₀₄H₁₀₇N₁₃O₆S₁₇ and a molecular weight of 2180.22 g/mol. Its IUPAC name is 2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(methyl-methylidene-oxo-λ6-sulfanyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(methyl-methylidene-oxo-λ6-sulfanyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
• PubChem CID: 159321170
• Molecular Formula: C₁₀₄H₁₀₇N₁₃O₆S₁₇
• Molecular Weight: 2180.22 g/mol
• Exact Mass: 2177.37
• IUPAC Name: 2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(methyl-methylidene-oxo-λ6-sulfanyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine
• SMILES: C=S(C)(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3cccs3)ccc2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)ccc2c1N.CCCCS(=O)c1sc2ncccc2c1N
• InChI: InChI=1S/C23H24N2OS3.C22H22N2OS3.C19H16N2OS3.C15H16N2OS3.C14H15N3OS3.C11H14N2OS2/c1-2-3-4-8-14-29(26)23-21(24)20-17(16-10-6-5-7-11-16)15-18(25-22(20)28-23)19-12-9-13-27-19;1-2-3-7-13-28(25)22-20(23)19-16(15-9-5-4-6-10-15)14-17(24-21(19)27-22)18-11-8-12-26-18;1-25(2,22)19-17(20)16-13(12-7-4-3-5-8-12)11-14(21-18(16)24-19)15-9-6-10-23-15;1-2-3-9-21(18)15-13(16)10-6-7-11(17-14(10)20-15)12-5-4-8-19-12;1-2-3-8-21(18)14-11(15)9-4-5-10(17-12(9)20-14)13-16-6-7-19-13;1-2-3-7-16(14)11-9(12)8-5-4-6-13-10(8)15-11/h5-7,9-13,15H,2-4,8,14,24H2,1H3;4-6,8-12,14H,2-3,7,13,23H2,1H3;3-11H,1,20H2,2H3;4-8H,2-3,9,16H2,1H3;4-7H,2-3,8,15H2,1H3;4-6H,2-3,7,12H2,1H3
• InChIKey: LDTYWPYCZSJBFH-UHFFFAOYSA-N
• XLogP: 29.72
• TPSA: 348.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2180.22
LogP ≤ 5	29.72
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(methyl-methylidene-oxo-λ6-sulfanyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?

The IUPAC name of 2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(methyl-methylidene-oxo-λ6-sulfanyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine (CID 159321170) is 2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(methyl-methylidene-oxo-λ6-sulfanyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for 2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(methyl-methylidene-oxo-λ6-sulfanyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(methyl-methylidene-oxo-λ6-sulfanyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is C=S(C)(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCCS(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N.CCCCS(=O)c1sc2nc(-c3cccs3)ccc2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)ccc2c1N.CCCCS(=O)c1sc2ncccc2c1N.

What is the InChIKey of 2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(methyl-methylidene-oxo-λ6-sulfanyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?

The InChIKey is LDTYWPYCZSJBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS3.C22H22N2OS3.C19H16N2OS3.C15H16N2OS3.C14H15N3OS3.C11H14N2OS2/c1-2-3-4-8-14-29(26)23-21(24)20-17(16-10-6-5-7-11-16)15-18(25-22(20)28-23)19-12-9-13-27-19;1-2-3-7-13-28(25)22-20(23)19-16(15-9-5-4-6-10-15)14-17(24-21(19)27-22)18-11-8-12-26-18;1-25(2,22)19-17(20)16-13(12-7-4-3-5-8-12)11-14(21-18(16)24-19)15-9-6-10-23-15;1-2-3-9-21(18)15-13(16)10-6-7-11(17-14(10)20-15)12-5-4-8-19-12;1-2-3-8-21(18)14-11(15)9-4-5-10(17-12(9)20-14)13-16-6-7-19-13;1-2-3-7-16(14)11-9(12)8-5-4-6-13-10(8)15-11/h5-7,9-13,15H,2-4,8,14,24H2,1H3;4-6,8-12,14H,2-3,7,13,23H2,1H3;3-11H,1,20H2,2H3;4-8H,2-3,9,16H2,1H3;4-7H,2-3,8,15H2,1H3;4-6H,2-3,7,12H2,1H3.

What are the key properties of 2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(methyl-methylidene-oxo-λ6-sulfanyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine?

2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(methyl-methylidene-oxo-λ6-sulfanyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine has a molecular weight of 2180.22 g/mol, XLogP of 29.72, 32 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;2-butylsulfinylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-hexylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-(methyl-methylidene-oxo-λ6-sulfanyl)-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-pentylsulfinyl-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 159321170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159321170 — identifiers, structure, computed properties (public domain)

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