5-[4-[2-(dimethylamino)ethylsulfonyl]phenyl]-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

C21H22N6O3S2 — CID 59471867

IUPAC5-[4-[2-(dimethylamino)ethylsulfonyl]phenyl]-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCc1ccsc1-c1nnc(-c2nc(-c3ccc(S(=O)(=O)CCN(C)C)cc3)cnc2N)o1
InChIInChI=1S/C21H22N6O3S2/c1-13-8-10-31-18(13)21-26-25-20(30-21)17-19(22)23-12-16(24-17)14-4-6-15(7-5-14)32(28,29)11-9-27(2)3/h4-8,10,12H,9,11H2,1-3H3,(H2,22,23)
InChIKeyNRHVIBRNELPBPQ-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.15
Rot. Bonds7

About 5-[4-[2-(dimethylamino)ethylsulfonyl]phenyl]-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

5-[4-[2-(dimethylamino)ethylsulfonyl]phenyl]-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (PubChem CID 59471867) has the molecular formula C21H22N6O3S2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 5-[4-[2-(dimethylamino)ethylsulfonyl]phenyl]-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-[2-(dimethylamino)ethylsulfonyl]phenyl]-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
PubChem CID59471867
Molecular FormulaC21H22N6O3S2
Molecular Weight470.58 g/mol
Exact Mass470.12
IUPAC Name5-[4-[2-(dimethylamino)ethylsulfonyl]phenyl]-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
SMILESCc1ccsc1-c1nnc(-c2nc(-c3ccc(S(=O)(=O)CCN(C)C)cc3)cnc2N)o1
InChIInChI=1S/C21H22N6O3S2/c1-13-8-10-31-18(13)21-26-25-20(30-21)17-19(22)23-12-16(24-17)14-4-6-15(7-5-14)32(28,29)11-9-27(2)3/h4-8,10,12H,9,11H2,1-3H3,(H2,22,23)
InChIKeyNRHVIBRNELPBPQ-UHFFFAOYSA-N
XLogP3.15
TPSA128.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

3-(5-Phenyl-1,3,4-oxadiazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 59472018
3-(5-Phenyl-1,3-oxazol-2-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 71554734
3-(2-Phenyl-1,3-oxazol-5-yl)-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 155536557
1-[[4-[5-[3-Amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]-2-methylpropan-2-ol
CID 59471725
3-[5-[2-Fluoro-4-[(oxolan-3-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine
CID 59471773
5-[4-[3-(Dimethylamino)-1-methyl-propyl]sulfonylphenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59471789
5-(2-Fluoro-4-isopropylsulfonyl-phenyl)-3-[5-[4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59471836
3-[5-[4-[(1S)-1-amino-2,2,2-trifluoro-ethyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-isopropylsulfonylphenyl)pyrazin-2-amine
CID 59471865
5-[4-[2-(Dimethylamino)-1-methyl-ethyl]sulfonylphenyl]-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59471890
5-(3-Fluoro-4-isopropylsulfonyl-phenyl)-3-[5-[2-fluoro-4-(methylaminomethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 59472011
3-[5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl]-5-(4-tetrahydrofuran-3-ylsulfonylphenyl)pyrazin-2-amine
CID 59472031
(2R)-1-[[4-[5-[3-amino-6-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]methylamino]propan-2-ol
CID 59472041

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(dimethylamino)ethylsulfonyl]phenyl]-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The IUPAC name of 5-[4-[2-(dimethylamino)ethylsulfonyl]phenyl]-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine (CID 59471867) is 5-[4-[2-(dimethylamino)ethylsulfonyl]phenyl]-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-[2-(dimethylamino)ethylsulfonyl]phenyl]-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The canonical SMILES for 5-[4-[2-(dimethylamino)ethylsulfonyl]phenyl]-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is Cc1ccsc1-c1nnc(-c2nc(-c3ccc(S(=O)(=O)CCN(C)C)cc3)cnc2N)o1.
What is the InChIKey of 5-[4-[2-(dimethylamino)ethylsulfonyl]phenyl]-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
The InChIKey is NRHVIBRNELPBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3S2/c1-13-8-10-31-18(13)21-26-25-20(30-21)17-19(22)23-12-16(24-17)14-4-6-15(7-5-14)32(28,29)11-9-27(2)3/h4-8,10,12H,9,11H2,1-3H3,(H2,22,23).
What are the key properties of 5-[4-[2-(dimethylamino)ethylsulfonyl]phenyl]-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine?
5-[4-[2-(dimethylamino)ethylsulfonyl]phenyl]-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine has a molecular weight of 470.58 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(dimethylamino)ethylsulfonyl]phenyl]-3-[5-(3-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 59471867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).