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

C20H19N5O3S2 — CID 59471869

IUPAC3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCc1ccsc1-c1nnc(-c2nc(-c3ccc(S(=O)(=O)C(C)C)cc3)cnc2N)o1
InChIInChI=1S/C20H19N5O3S2/c1-11(2)30(26,27)14-6-4-13(5-7-14)15-10-22-18(21)16(23-15)19-24-25-20(28-19)17-12(3)8-9-29-17/h4-11H,1-3H3,(H2,21,22)
InChIKeyNLYZYRXTQFBCGF-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.99
Rot. Bonds5

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

3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 59471869) has the molecular formula C20H19N5O3S2 and a molecular weight of 441.54 g/mol. Its IUPAC name is 3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
PubChem CID59471869
Molecular FormulaC20H19N5O3S2
Molecular Weight441.54 g/mol
Exact Mass441.09
IUPAC Name3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCc1ccsc1-c1nnc(-c2nc(-c3ccc(S(=O)(=O)C(C)C)cc3)cnc2N)o1
InChIInChI=1S/C20H19N5O3S2/c1-11(2)30(26,27)14-6-4-13(5-7-14)15-10-22-18(21)16(23-15)19-24-25-20(28-19)17-12(3)8-9-29-17/h4-11H,1-3H3,(H2,21,22)
InChIKeyNLYZYRXTQFBCGF-UHFFFAOYSA-N
XLogP3.99
TPSA124.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 59471869) is 3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.
What is the SMILES notation for 3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is Cc1ccsc1-c1nnc(-c2nc(-c3ccc(S(=O)(=O)C(C)C)cc3)cnc2N)o1.
What is the InChIKey of 3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is NLYZYRXTQFBCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S2/c1-11(2)30(26,27)14-6-4-13(5-7-14)15-10-22-18(21)16(23-15)19-24-25-20(28-19)17-12(3)8-9-29-17/h4-11H,1-3H3,(H2,21,22).
What are the key properties of 3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 441.54 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 59471869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).