2-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;2-[[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]ethanol;N-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetamide;molecular hydrogen;hydrate

C62H74N14O10S4 — CID 159184346

About 2-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;2-[[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]ethanol;N-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetamide;molecular hydrogen;hydrate

2-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;2-[[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]ethanol;N-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetamide;molecular hydrogen;hydrate (PubChem CID 159184346) has the molecular formula C62H74N14O10S4 and a molecular weight of 1303.63 g/mol. Its IUPAC name is 2-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;2-[[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]ethanol;N-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetamide;molecular hydrogen;hydrate.

Molecular Properties

• Compound Name: 2-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;2-[[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]ethanol;N-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetamide;molecular hydrogen;hydrate
• PubChem CID: 159184346
• Molecular Formula: C62H74N14O10S4
• Molecular Weight: 1303.63 g/mol
• Exact Mass: 1302.46
• IUPAC Name: 2-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;2-[[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]ethanol;N-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetamide;molecular hydrogen;hydrate
• SMILES: CC(=O)Nc1nnc(-c2nc(-c3ccc(S(=O)(=O)C(C)C)cc3)cnc2C)o1.Cc1ccsc1-c1nnc(-c2nc(-c3ccccc3S(C)=O)cnc2C)o1.Cc1ncc(-c2ccc(S(=O)C(C)C)cc2)nc1-c1nnc(-c2ccc(CNCCO)cc2)o1.O.[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H27N5O3S.C19H16N4O2S2.C18H19N5O4S.H2O.5H2/c1-16(2)34(32)21-10-8-19(9-11-21)22-15-27-17(3)23(28-22)25-30-29-24(33-25)20-6-4-18(5-7-20)14-26-12-13-31;1-11-8-9-26-17(11)19-23-22-18(25-19)16-12(2)20-10-14(21-16)13-6-4-5-7-15(13)27(3)24;1-10(2)28(25,26)14-7-5-13(6-8-14)15-9-19-11(3)16(21-15)17-22-23-18(27-17)20-12(4)24;;;;;;/h4-11,15-16,26,31H,12-14H2,1-3H3;4-10H,1-3H3;5-10H,1-4H3,(H,20,23,24);1H2;5*1H
• InChIKey: QPALEYULLLMXFT-UHFFFAOYSA-N
• XLogP: 11.09
• TPSA: 355.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1303.63
LogP ≤ 5	11.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;2-[[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]ethanol;N-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetamide;molecular hydrogen;hydrate?

The IUPAC name of 2-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;2-[[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]ethanol;N-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetamide;molecular hydrogen;hydrate (CID 159184346) is 2-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;2-[[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]ethanol;N-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetamide;molecular hydrogen;hydrate.

What is the SMILES notation for 2-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;2-[[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]ethanol;N-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetamide;molecular hydrogen;hydrate?

The canonical SMILES for 2-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;2-[[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]ethanol;N-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetamide;molecular hydrogen;hydrate is CC(=O)Nc1nnc(-c2nc(-c3ccc(S(=O)(=O)C(C)C)cc3)cnc2C)o1.Cc1ccsc1-c1nnc(-c2nc(-c3ccccc3S(C)=O)cnc2C)o1.Cc1ncc(-c2ccc(S(=O)C(C)C)cc2)nc1-c1nnc(-c2ccc(CNCCO)cc2)o1.O.[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;2-[[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]ethanol;N-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetamide;molecular hydrogen;hydrate?

The InChIKey is QPALEYULLLMXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S.C19H16N4O2S2.C18H19N5O4S.H2O.5H2/c1-16(2)34(32)21-10-8-19(9-11-21)22-15-27-17(3)23(28-22)25-30-29-24(33-25)20-6-4-18(5-7-20)14-26-12-13-31;1-11-8-9-26-17(11)19-23-22-18(25-19)16-12(2)20-10-14(21-16)13-6-4-5-7-15(13)27(3)24;1-10(2)28(25,26)14-7-5-13(6-8-14)15-9-19-11(3)16(21-15)17-22-23-18(27-17)20-12(4)24;;;;;;/h4-11,15-16,26,31H,12-14H2,1-3H3;4-10H,1-3H3;5-10H,1-4H3,(H,20,23,24);1H2;5*1H.

What are the key properties of 2-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;2-[[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]ethanol;N-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetamide;molecular hydrogen;hydrate?

2-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;2-[[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]ethanol;N-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetamide;molecular hydrogen;hydrate has a molecular weight of 1303.63 g/mol, XLogP of 11.09, 18 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-methyl-6-(2-methylsulfinylphenyl)pyrazin-2-yl]-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole;2-[[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]ethanol;N-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]acetamide;molecular hydrogen;hydrate is sourced from PubChem (CID 159184346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).