2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-5-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine

C95H100N20O7S12 — CID 157159545

About 2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-5-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine

2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-5-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine (PubChem CID 157159545) has the molecular formula C95H100N20O7S12 and a molecular weight of 2018.78 g/mol. Its IUPAC name is 2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-5-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine.

Molecular Properties

• Compound Name: 2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-5-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
• PubChem CID: 157159545
• Molecular Formula: C95H100N20O7S12
• Molecular Weight: 2018.78 g/mol
• Exact Mass: 2016.47
• IUPAC Name: 2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-5-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine
• SMILES: CCCCS(=O)C1=C(N)c2c(C3=CN=C(C)C3)cc(-c3nccs3)nc2C1.CCCCS(=O)c1cc2c(C3=CN=C(C)C3)cc(-c3nccs3)nc2s1.CCCCS(=O)c1oc2nc(-c3nccs3)cc(C3=CN=C(C)C3)c2c1N.CCCCS(=O)c1sc2nc(-c3ncco3)cc(C3=CN=C(C)C3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)nc(C3=CN=C(C)C3)c2c1N
• InChI: InChI=1S/C20H22N4OS2.2C19H20N4O2S2.C19H19N3OS3.C18H19N5OS3/c1-3-4-7-27(25)17-10-15-18(19(17)21)14(13-8-12(2)23-11-13)9-16(24-15)20-22-5-6-26-20;1-3-4-7-27(24)19-16(20)15-13(12-8-11(2)22-10-12)9-14(23-17(15)25-19)18-21-5-6-26-18;1-3-4-7-27(24)19-16(20)15-13(12-8-11(2)22-10-12)9-14(23-18(15)26-19)17-21-5-6-25-17;1-3-4-7-26(23)17-10-15-14(13-8-12(2)21-11-13)9-16(22-18(15)25-17)19-20-5-6-24-19;1-3-4-7-27(24)18-13(19)12-14(11-8-10(2)21-9-11)22-15(23-16(12)26-18)17-20-5-6-25-17/h5-6,9,11H,3-4,7-8,10,21H2,1-2H3;2*5-6,9-10H,3-4,7-8,20H2,1-2H3;5-6,9-11H,3-4,7-8H2,1-2H3;5-6,9H,3-4,7-8,19H2,1-2H3
• InChIKey: AMFAANFQPMDUBL-UHFFFAOYSA-N
• XLogP: 23.48
• TPSA: 419.30 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 34
• Rotatable Bonds: 30
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2018.78
LogP ≤ 5	23.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-5-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?

The IUPAC name of 2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-5-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine (CID 157159545) is 2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-5-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine.

What is the SMILES notation for 2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-5-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?

The canonical SMILES for 2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-5-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine is CCCCS(=O)C1=C(N)c2c(C3=CN=C(C)C3)cc(-c3nccs3)nc2C1.CCCCS(=O)c1cc2c(C3=CN=C(C)C3)cc(-c3nccs3)nc2s1.CCCCS(=O)c1oc2nc(-c3nccs3)cc(C3=CN=C(C)C3)c2c1N.CCCCS(=O)c1sc2nc(-c3ncco3)cc(C3=CN=C(C)C3)c2c1N.CCCCS(=O)c1sc2nc(-c3nccs3)nc(C3=CN=C(C)C3)c2c1N.

What is the InChIKey of 2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-5-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?

The InChIKey is AMFAANFQPMDUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS2.2C19H20N4O2S2.C19H19N3OS3.C18H19N5OS3/c1-3-4-7-27(25)17-10-15-18(19(17)21)14(13-8-12(2)23-11-13)9-16(24-15)20-22-5-6-26-20;1-3-4-7-27(24)19-16(20)15-13(12-8-11(2)22-10-12)9-14(23-17(15)25-19)18-21-5-6-26-18;1-3-4-7-27(24)19-16(20)15-13(12-8-11(2)22-10-12)9-14(23-18(15)26-19)17-21-5-6-25-17;1-3-4-7-26(23)17-10-15-14(13-8-12(2)21-11-13)9-16(22-18(15)25-17)19-20-5-6-24-19;1-3-4-7-27(24)18-13(19)12-14(11-8-10(2)21-9-11)22-15(23-16(12)26-18)17-20-5-6-25-17/h5-6,9,11H,3-4,7-8,10,21H2,1-2H3;2*5-6,9-10H,3-4,7-8,20H2,1-2H3;5-6,9-11H,3-4,7-8H2,1-2H3;5-6,9H,3-4,7-8,19H2,1-2H3.

What are the key properties of 2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-5-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine?

2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-5-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine has a molecular weight of 2018.78 g/mol, XLogP of 23.48, 30 rotatable bonds, 4 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-oxazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)-7H-cyclopenta[b]pyridin-5-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)furo[2,3-b]pyridin-3-amine;2-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridine;6-butylsulfinyl-4-(2-methyl-3H-pyrrol-4-yl)-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidin-5-amine is sourced from PubChem (CID 157159545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).