2-[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine

C24H25N5O2S — CID 158646588

IUPAC2-[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine
SMILESCc1ncc(-c2ccc(S(=O)C(C)C)cc2)nc1-c1nnc(-c2ccc(CCN)cc2)o1
InChIInChI=1S/C24H25N5O2S/c1-15(2)32(30)20-10-8-18(9-11-20)21-14-26-16(3)22(27-21)24-29-28-23(31-24)19-6-4-17(5-7-19)12-13-25/h4-11,14-15H,12-13,25H2,1-3H3
InChIKeyLLEULNVUIJIARY-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.19
Rot. Bonds7

About 2-[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine

2-[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine (PubChem CID 158646588) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine
PubChem CID158646588
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name2-[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine
SMILESCc1ncc(-c2ccc(S(=O)C(C)C)cc2)nc1-c1nnc(-c2ccc(CCN)cc2)o1
InChIInChI=1S/C24H25N5O2S/c1-15(2)32(30)20-10-8-18(9-11-20)21-14-26-16(3)22(27-21)24-29-28-23(31-24)19-6-4-17(5-7-19)12-13-25/h4-11,14-15H,12-13,25H2,1-3H3
InChIKeyLLEULNVUIJIARY-UHFFFAOYSA-N
XLogP4.19
TPSA107.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]aniline
CID 167196720
N-[[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]cyclopropanamine;molecular hydrogen;hydrate
CID 158342958
3-[5-(3-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine
CID 135270145
2-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]ethanamine;molecular hydrogen
CID 159051269
5-[4-(4-methoxybutan-2-ylsulfinyl)phenyl]-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 135137180
4-[4-[6-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]-5-methylpyrazin-2-yl]phenyl]sulfinyl-2-methylpentan-2-ol;molecular hydrogen;hydrate
CID 162169656
[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine;molecular hydrogen
CID 160543901
N-methyl-1-[4-[5-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine
CID 152850768
2-[[4-[5-[6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]ethanol
CID 121399516
2-[6-(4-ethylsulfonylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 152905324
[3-[5-[3-methyl-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]methanamine;molecular hydrogen
CID 161228678
N-methyl-1-[3-methyl-4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]phenyl]methanamine
CID 70883056

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine?
The IUPAC name of 2-[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine (CID 158646588) is 2-[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine is Cc1ncc(-c2ccc(S(=O)C(C)C)cc2)nc1-c1nnc(-c2ccc(CCN)cc2)o1.
What is the InChIKey of 2-[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine?
The InChIKey is LLEULNVUIJIARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-15(2)32(30)20-10-8-18(9-11-20)21-14-26-16(3)22(27-21)24-29-28-23(31-24)19-6-4-17(5-7-19)12-13-25/h4-11,14-15H,12-13,25H2,1-3H3.
What are the key properties of 2-[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine?
2-[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine has a molecular weight of 447.56 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[3-methyl-6-(4-propan-2-ylsulfinylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]ethanamine is sourced from PubChem (CID 158646588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).