N,N-dimethyl-1-[4-[5-methyl-6-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen

C69H73N15O6S2 — CID 159890026

About N,N-dimethyl-1-[4-[5-methyl-6-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen

N,N-dimethyl-1-[4-[5-methyl-6-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen (PubChem CID 159890026) has the molecular formula C69H73N15O6S2 and a molecular weight of 1272.58 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-[5-methyl-6-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen.

Molecular Properties

• Compound Name: N,N-dimethyl-1-[4-[5-methyl-6-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen
• PubChem CID: 159890026
• Molecular Formula: C69H73N15O6S2
• Molecular Weight: 1272.58 g/mol
• Exact Mass: 1271.53
• IUPAC Name: N,N-dimethyl-1-[4-[5-methyl-6-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen
• SMILES: C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccc(C)s4)o3)n2)cc1)N(C)C.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(-c2ccc(CN(C)C)cc2)o1.Cc1ncc(-c2ccccc2C(=O)N(C)C)nc1-c1nnc(-c2ccccc2)o1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H27N5O3S.C22H19N5O2.C22H21N5OS.3H2/c1-16(2)34(31,32)21-12-10-19(11-13-21)22-14-26-17(3)23(27-22)25-29-28-24(33-25)20-8-6-18(7-9-20)15-30(4)5;1-14-19(21-26-25-20(29-21)15-9-5-4-6-10-15)24-18(13-23-14)16-11-7-8-12-17(16)22(28)27(2)3;1-13-6-11-19(29-13)21-25-26-22(28-21)20-14(2)23-12-18(24-20)17-9-7-16(8-10-17)15(3)27(4)5;;;/h6-14,16H,15H2,1-5H3;4-13H,1-3H3;6-12H,3H2,1-2,4-5H3;3*1H
• InChIKey: NUQCKNFWDZBKPR-UHFFFAOYSA-N
• XLogP: 14.09
• TPSA: 255.03 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1272.58
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-[5-methyl-6-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen?

The IUPAC name of N,N-dimethyl-1-[4-[5-methyl-6-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen (CID 159890026) is N,N-dimethyl-1-[4-[5-methyl-6-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen.

What is the SMILES notation for N,N-dimethyl-1-[4-[5-methyl-6-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen?

The canonical SMILES for N,N-dimethyl-1-[4-[5-methyl-6-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccc(C)s4)o3)n2)cc1)N(C)C.Cc1ncc(-c2ccc(S(=O)(=O)C(C)C)cc2)nc1-c1nnc(-c2ccc(CN(C)C)cc2)o1.Cc1ncc(-c2ccccc2C(=O)N(C)C)nc1-c1nnc(-c2ccccc2)o1.[H][H].[H][H].[H][H].

What is the InChIKey of N,N-dimethyl-1-[4-[5-methyl-6-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen?

The InChIKey is NUQCKNFWDZBKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S.C22H19N5O2.C22H21N5OS.3H2/c1-16(2)34(31,32)21-12-10-19(11-13-21)22-14-26-17(3)23(27-22)25-29-28-24(33-25)20-8-6-18(7-9-20)15-30(4)5;1-14-19(21-26-25-20(29-21)15-9-5-4-6-10-15)24-18(13-23-14)16-11-7-8-12-17(16)22(28)27(2)3;1-13-6-11-19(29-13)21-25-26-22(28-21)20-14(2)23-12-18(24-20)17-9-7-16(8-10-17)15(3)27(4)5;;;/h6-14,16H,15H2,1-5H3;4-13H,1-3H3;6-12H,3H2,1-2,4-5H3;3*1H.

What are the key properties of N,N-dimethyl-1-[4-[5-methyl-6-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen?

N,N-dimethyl-1-[4-[5-methyl-6-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen has a molecular weight of 1272.58 g/mol, XLogP of 14.09, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-1-[4-[5-methyl-6-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]ethenamine;N,N-dimethyl-2-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzamide;N,N-dimethyl-1-[4-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen is sourced from PubChem (CID 159890026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).