2-butylsulfanyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-4-methyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine;4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine

C113H115N17O8S17 — CID 159591661

About 2-butylsulfanyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-4-methyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine;4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine

2-butylsulfanyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-4-methyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine;4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine (PubChem CID 159591661) has the molecular formula C113H115N17O8S17 and a molecular weight of 2384.41 g/mol. Its IUPAC name is 2-butylsulfanyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-4-methyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine;4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-butylsulfanyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-4-methyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine;4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine
• PubChem CID: 159591661
• Molecular Formula: C113H115N17O8S17
• Molecular Weight: 2384.41 g/mol
• Exact Mass: 2381.44
• IUPAC Name: 2-butylsulfanyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-4-methyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine;4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine
• SMILES: CC(C)S(=O)c1sc2nc(-c3ncco3)cc(-c3ccccc3)c2c1N.CCCCS(=O)C1=Nc2nc(-c3cccs3)ccc2C1.CCCCS(=O)c1nc2ccc(-c3cccs3)nc2s1.CCCCS(=O)c1sc2nc(-c3cccs3)cc(C)c2c1N.CCCCS(=O)c1sc2nc(-c3ncco3)cc(-c3ccccc3)c2c1N.CCCCSC1=Nc2nc(-c3cccs3)ccc2C1.CCCS(=O)c1sc2nc(-c3nccs3)cc(C)c2c1N
• InChI: InChI=1S/C20H19N3O2S2.C19H17N3O2S2.C16H18N2OS3.C15H16N2OS2.C15H16N2S2.C14H15N3OS3.C14H14N2OS3/c1-2-3-11-27(24)20-17(21)16-14(13-7-5-4-6-8-13)12-15(23-19(16)26-20)18-22-9-10-25-18;1-11(2)26(23)19-16(20)15-13(12-6-4-3-5-7-12)10-14(22-18(15)25-19)17-21-8-9-24-17;1-3-4-8-22(19)16-14(17)13-10(2)9-11(18-15(13)21-16)12-6-5-7-20-12;1-2-3-9-20(18)14-10-11-6-7-12(16-15(11)17-14)13-5-4-8-19-13;1-2-3-8-19-14-10-11-6-7-12(16-15(11)17-14)13-5-4-9-18-13;1-3-6-21(18)14-11(15)10-8(2)7-9(17-13(10)20-14)12-16-4-5-19-12;1-2-3-9-20(17)14-16-11-7-6-10(15-13(11)19-14)12-5-4-8-18-12/h4-10,12H,2-3,11,21H2,1H3;3-11H,20H2,1-2H3;5-7,9H,3-4,8,17H2,1-2H3;4-8H,2-3,9-10H2,1H3;4-7,9H,2-3,8,10H2,1H3;4-5,7H,3,6,15H2,1-2H3;4-8H,2-3,9H2,1H3
• InChIKey: MKHZDALHTJNTHC-UHFFFAOYSA-N
• XLogP: 31.68
• TPSA: 399.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2384.41
LogP ≤ 5	31.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfanyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-4-methyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine;4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine?

The IUPAC name of 2-butylsulfanyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-4-methyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine;4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine (CID 159591661) is 2-butylsulfanyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-4-methyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine;4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine.

What is the SMILES notation for 2-butylsulfanyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-4-methyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine;4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine?

The canonical SMILES for 2-butylsulfanyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-4-methyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine;4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine is CC(C)S(=O)c1sc2nc(-c3ncco3)cc(-c3ccccc3)c2c1N.CCCCS(=O)C1=Nc2nc(-c3cccs3)ccc2C1.CCCCS(=O)c1nc2ccc(-c3cccs3)nc2s1.CCCCS(=O)c1sc2nc(-c3cccs3)cc(C)c2c1N.CCCCS(=O)c1sc2nc(-c3ncco3)cc(-c3ccccc3)c2c1N.CCCCSC1=Nc2nc(-c3cccs3)ccc2C1.CCCS(=O)c1sc2nc(-c3nccs3)cc(C)c2c1N.

What is the InChIKey of 2-butylsulfanyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-4-methyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine;4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine?

The InChIKey is MKHZDALHTJNTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S2.C19H17N3O2S2.C16H18N2OS3.C15H16N2OS2.C15H16N2S2.C14H15N3OS3.C14H14N2OS3/c1-2-3-11-27(24)20-17(21)16-14(13-7-5-4-6-8-13)12-15(23-19(16)26-20)18-22-9-10-25-18;1-11(2)26(23)19-16(20)15-13(12-6-4-3-5-7-12)10-14(22-18(15)25-19)17-21-8-9-24-17;1-3-4-8-22(19)16-14(17)13-10(2)9-11(18-15(13)21-16)12-6-5-7-20-12;1-2-3-9-20(18)14-10-11-6-7-12(16-15(11)17-14)13-5-4-8-19-13;1-2-3-8-19-14-10-11-6-7-12(16-15(11)17-14)13-5-4-9-18-13;1-3-6-21(18)14-11(15)10-8(2)7-9(17-13(10)20-14)12-16-4-5-19-12;1-2-3-9-20(17)14-16-11-7-6-10(15-13(11)19-14)12-5-4-8-18-12/h4-10,12H,2-3,11,21H2,1H3;3-11H,20H2,1-2H3;5-7,9H,3-4,8,17H2,1-2H3;4-8H,2-3,9-10H2,1H3;4-7,9H,2-3,8,10H2,1H3;4-5,7H,3,6,15H2,1-2H3;4-8H,2-3,9H2,1H3.

What are the key properties of 2-butylsulfanyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-4-methyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine;4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine?

2-butylsulfanyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-4-methyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine;4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine has a molecular weight of 2384.41 g/mol, XLogP of 31.68, 32 rotatable bonds, 4 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butylsulfanyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-4-methyl-6-thiophen-2-ylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-(1,3-oxazol-2-yl)-4-phenylthieno[2,3-b]pyridin-3-amine;2-butylsulfinyl-6-thiophen-2-yl-3H-pyrrolo[2,3-b]pyridine;2-butylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine;4-methyl-2-propylsulfinyl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(1,3-oxazol-2-yl)-4-phenyl-2-propan-2-ylsulfinylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 159591661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).