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

C22H24N6O3S2 — CID 59471950

IUPAC3-[5-[5-(ethylaminomethyl)thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCCNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)o2)s1
InChIInChI=1S/C22H24N6O3S2/c1-4-24-11-15-7-10-18(32-15)21-27-28-22(31-21)19-20(23)25-12-17(26-19)14-5-8-16(9-6-14)33(29,30)13(2)3/h5-10,12-13,24H,4,11H2,1-3H3,(H2,23,25)
InChIKeyBQFKQHAIGCWUCG-UHFFFAOYSA-N
MW484.61 g/mol
LogP3.80
Rot. Bonds8

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

3-[5-[5-(ethylaminomethyl)thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 59471950) has the molecular formula C22H24N6O3S2 and a molecular weight of 484.61 g/mol. Its IUPAC name is 3-[5-[5-(ethylaminomethyl)thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-[5-[5-(ethylaminomethyl)thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
PubChem CID59471950
Molecular FormulaC22H24N6O3S2
Molecular Weight484.61 g/mol
Exact Mass484.14
IUPAC Name3-[5-[5-(ethylaminomethyl)thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
SMILESCCNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)o2)s1
InChIInChI=1S/C22H24N6O3S2/c1-4-24-11-15-7-10-18(32-15)21-27-28-22(31-21)19-20(23)25-12-17(26-19)14-5-8-16(9-6-14)33(29,30)13(2)3/h5-10,12-13,24H,4,11H2,1-3H3,(H2,23,25)
InChIKeyBQFKQHAIGCWUCG-UHFFFAOYSA-N
XLogP3.80
TPSA136.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-(ethylaminomethyl)thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The IUPAC name of 3-[5-[5-(ethylaminomethyl)thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 59471950) is 3-[5-[5-(ethylaminomethyl)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-(ethylaminomethyl)thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The canonical SMILES for 3-[5-[5-(ethylaminomethyl)thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CCNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)C)cc4)cnc3N)o2)s1.
What is the InChIKey of 3-[5-[5-(ethylaminomethyl)thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
The InChIKey is BQFKQHAIGCWUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3S2/c1-4-24-11-15-7-10-18(32-15)21-27-28-22(31-21)19-20(23)25-12-17(26-19)14-5-8-16(9-6-14)33(29,30)13(2)3/h5-10,12-13,24H,4,11H2,1-3H3,(H2,23,25).
What are the key properties of 3-[5-[5-(ethylaminomethyl)thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?
3-[5-[5-(ethylaminomethyl)thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 484.61 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-(ethylaminomethyl)thiophen-2-yl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 59471950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).