3-[5-[5-[(propan-2-ylamino)methyl]thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

C23H26N6O3S2 — CID 59471805

About 3-[5-[5-[(propan-2-ylamino)methyl]thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

3-[5-[5-[(propan-2-ylamino)methyl]thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 59471805) has the molecular formula C23H26N6O3S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 3-[5-[5-[(propan-2-ylamino)methyl]thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[5-[5-[(propan-2-ylamino)methyl]thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
• PubChem CID: 59471805
• Molecular Formula: C23H26N6O3S2
• Molecular Weight: 498.63 g/mol
• Exact Mass: 498.15
• IUPAC Name: 3-[5-[5-[(propan-2-ylamino)methyl]thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
• SMILES: CC(C)NCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)o2)s1
• InChI: InChI=1S/C23H26N6O3S2/c1-13(2)25-11-16-7-10-19(33-16)22-28-29-23(32-22)20-21(24)26-12-18(27-20)15-5-8-17(9-6-15)34(30,31)14(3)4/h5-10,12-14,25H,11H2,1-4H3,(H2,24,26)
• InChIKey: GSFBKKHVZMKKJO-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 136.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.63
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-[(propan-2-ylamino)methyl]thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The IUPAC name of 3-[5-[5-[(propan-2-ylamino)methyl]thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 59471805) is 3-[5-[5-[(propan-2-ylamino)methyl]thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

What is the SMILES notation for 3-[5-[5-[(propan-2-ylamino)methyl]thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The canonical SMILES for 3-[5-[5-[(propan-2-ylamino)methyl]thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CC(C)NCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)o2)s1.

What is the InChIKey of 3-[5-[5-[(propan-2-ylamino)methyl]thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The InChIKey is GSFBKKHVZMKKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3S2/c1-13(2)25-11-16-7-10-19(33-16)22-28-29-23(32-22)20-21(24)26-12-18(27-20)15-5-8-17(9-6-15)34(30,31)14(3)4/h5-10,12-14,25H,11H2,1-4H3,(H2,24,26).

What are the key properties of 3-[5-[5-[(propan-2-ylamino)methyl]thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

3-[5-[5-[(propan-2-ylamino)methyl]thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 498.63 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[5-[(propan-2-ylamino)methyl]thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 59471805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).