2-butoxy-6-(4-methylsulfonylphenyl)pyrazine;N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfanylphenyl)pyridin-2-amine;N-(furan-2-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;2-[[5-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-1,3-thiazole

C127H134N20O19S9 — CID 167597940

About 2-butoxy-6-(4-methylsulfonylphenyl)pyrazine;N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfanylphenyl)pyridin-2-amine;N-(furan-2-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;2-[[5-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-1,3-thiazole

2-butoxy-6-(4-methylsulfonylphenyl)pyrazine;N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfanylphenyl)pyridin-2-amine;N-(furan-2-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;2-[[5-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-1,3-thiazole (PubChem CID 167597940) has the molecular formula C127H134N20O19S9 and a molecular weight of 2533.19 g/mol. Its IUPAC name is 2-butoxy-6-(4-methylsulfonylphenyl)pyrazine;N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfanylphenyl)pyridin-2-amine;N-(furan-2-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;2-[[5-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-butoxy-6-(4-methylsulfonylphenyl)pyrazine;N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfanylphenyl)pyridin-2-amine;N-(furan-2-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;2-[[5-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-1,3-thiazole
• PubChem CID: 167597940
• Molecular Formula: C127H134N20O19S9
• Molecular Weight: 2533.19 g/mol
• Exact Mass: 2530.76
• IUPAC Name: 2-butoxy-6-(4-methylsulfonylphenyl)pyrazine;N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfanylphenyl)pyridin-2-amine;N-(furan-2-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;2-[[5-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-1,3-thiazole
• SMILES: CCCCOc1cncc(-c2ccc(S(C)(=O)=O)cc2)n1.CN(C)c1cncc(-c2ccc(S(C)(=O)=O)cc2)n1.CN1CCN(c2cncc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1.CS(=O)(=O)c1ccc(-c2ccnc(NCc3ccco3)c2)cc1.CS(=O)(=O)c1ccc(-c2ccnc(NCc3ccoc3)c2)cc1.CS(=O)(=O)c1ccc(-c2cncc(N3CCCCC3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(OCc3nccs3)c2)cc1.CSc1ccc(-c2cccc(NCc3ccco3)n2)cc1
• InChI: InChI=1S/2C17H16N2O3S.C17H16N2OS.C16H20N4O2S.C16H19N3O2S.C16H14N2O3S2.C15H18N2O3S.C13H15N3O2S/c1-23(20,21)16-4-2-14(3-5-16)15-6-8-18-17(10-15)19-11-13-7-9-22-12-13;1-23(20,21)16-6-4-13(5-7-16)14-8-9-18-17(11-14)19-12-15-3-2-10-22-15;1-21-15-9-7-13(8-10-15)16-5-2-6-17(19-16)18-12-14-4-3-11-20-14;1-19-7-9-20(10-8-19)16-12-17-11-15(18-16)13-3-5-14(6-4-13)23(2,21)22;1-22(20,21)14-7-5-13(6-8-14)15-11-17-12-16(18-15)19-9-3-2-4-10-19;1-23(19,20)15-4-2-12(3-5-15)13-8-14(10-17-9-13)21-11-16-18-6-7-22-16;1-3-4-9-20-15-11-16-10-14(17-15)12-5-7-13(8-6-12)21(2,18)19;1-16(2)13-9-14-8-12(15-13)10-4-6-11(7-5-10)19(3,17)18/h2-10,12H,11H2,1H3,(H,18,19);2-11H,12H2,1H3,(H,18,19);2-11H,12H2,1H3,(H,18,19);3-6,11-12H,7-10H2,1-2H3;5-8,11-12H,2-4,9-10H2,1H3;2-10H,11H2,1H3;5-8,10-11H,3-4,9H2,1-2H3;4-9H,1-3H3
• InChIKey: JIKVQTALGWCUGN-UHFFFAOYSA-N
• XLogP: 22.75
• TPSA: 513.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 41
• Rotatable Bonds: 35
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2533.19
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-6-(4-methylsulfonylphenyl)pyrazine;N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfanylphenyl)pyridin-2-amine;N-(furan-2-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;2-[[5-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-1,3-thiazole?

The IUPAC name of 2-butoxy-6-(4-methylsulfonylphenyl)pyrazine;N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfanylphenyl)pyridin-2-amine;N-(furan-2-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;2-[[5-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-1,3-thiazole (CID 167597940) is 2-butoxy-6-(4-methylsulfonylphenyl)pyrazine;N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfanylphenyl)pyridin-2-amine;N-(furan-2-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;2-[[5-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-1,3-thiazole.

What is the SMILES notation for 2-butoxy-6-(4-methylsulfonylphenyl)pyrazine;N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfanylphenyl)pyridin-2-amine;N-(furan-2-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;2-[[5-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-1,3-thiazole?

The canonical SMILES for 2-butoxy-6-(4-methylsulfonylphenyl)pyrazine;N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfanylphenyl)pyridin-2-amine;N-(furan-2-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;2-[[5-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-1,3-thiazole is CCCCOc1cncc(-c2ccc(S(C)(=O)=O)cc2)n1.CN(C)c1cncc(-c2ccc(S(C)(=O)=O)cc2)n1.CN1CCN(c2cncc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1.CS(=O)(=O)c1ccc(-c2ccnc(NCc3ccco3)c2)cc1.CS(=O)(=O)c1ccc(-c2ccnc(NCc3ccoc3)c2)cc1.CS(=O)(=O)c1ccc(-c2cncc(N3CCCCC3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(OCc3nccs3)c2)cc1.CSc1ccc(-c2cccc(NCc3ccco3)n2)cc1.

What is the InChIKey of 2-butoxy-6-(4-methylsulfonylphenyl)pyrazine;N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfanylphenyl)pyridin-2-amine;N-(furan-2-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;2-[[5-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-1,3-thiazole?

The InChIKey is JIKVQTALGWCUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H16N2O3S.C17H16N2OS.C16H20N4O2S.C16H19N3O2S.C16H14N2O3S2.C15H18N2O3S.C13H15N3O2S/c1-23(20,21)16-4-2-14(3-5-16)15-6-8-18-17(10-15)19-11-13-7-9-22-12-13;1-23(20,21)16-6-4-13(5-7-16)14-8-9-18-17(11-14)19-12-15-3-2-10-22-15;1-21-15-9-7-13(8-10-15)16-5-2-6-17(19-16)18-12-14-4-3-11-20-14;1-19-7-9-20(10-8-19)16-12-17-11-15(18-16)13-3-5-14(6-4-13)23(2,21)22;1-22(20,21)14-7-5-13(6-8-14)15-11-17-12-16(18-15)19-9-3-2-4-10-19;1-23(19,20)15-4-2-12(3-5-15)13-8-14(10-17-9-13)21-11-16-18-6-7-22-16;1-3-4-9-20-15-11-16-10-14(17-15)12-5-7-13(8-6-12)21(2,18)19;1-16(2)13-9-14-8-12(15-13)10-4-6-11(7-5-10)19(3,17)18/h2-10,12H,11H2,1H3,(H,18,19);2-11H,12H2,1H3,(H,18,19);2-11H,12H2,1H3,(H,18,19);3-6,11-12H,7-10H2,1-2H3;5-8,11-12H,2-4,9-10H2,1H3;2-10H,11H2,1H3;5-8,10-11H,3-4,9H2,1-2H3;4-9H,1-3H3.

What are the key properties of 2-butoxy-6-(4-methylsulfonylphenyl)pyrazine;N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfanylphenyl)pyridin-2-amine;N-(furan-2-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;2-[[5-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-1,3-thiazole?

2-butoxy-6-(4-methylsulfonylphenyl)pyrazine;N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfanylphenyl)pyridin-2-amine;N-(furan-2-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;2-[[5-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-1,3-thiazole has a molecular weight of 2533.19 g/mol, XLogP of 22.75, 35 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butoxy-6-(4-methylsulfonylphenyl)pyrazine;N,N-dimethyl-6-(4-methylsulfonylphenyl)pyrazin-2-amine;N-(furan-2-ylmethyl)-6-(4-methylsulfanylphenyl)pyridin-2-amine;N-(furan-2-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;N-(furan-3-ylmethyl)-4-(4-methylsulfonylphenyl)pyridin-2-amine;2-(4-methylpiperazin-1-yl)-6-(4-methylsulfonylphenyl)pyrazine;2-(4-methylsulfonylphenyl)-6-piperidin-1-ylpyrazine;2-[[5-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]-1,3-thiazole is sourced from PubChem (CID 167597940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).