3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonamide

C14H13N5O3S — CID 155630488

IUPAC3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonamide
SMILES[2H]C([2H])([2H])c1ccc(S(N)(=O)=O)cc1-c1cnc(N)c(-c2cnco2)n1
InChIInChI=1S/C14H13N5O3S/c1-8-2-3-9(23(16,20)21)4-10(8)11-5-18-14(15)13(19-11)12-6-17-7-22-12/h2-7H,1H3,(H2,15,18)(H2,16,20,21)/i1D3
InChIKeyHKRRINPXGIASFV-FIBGUPNXSA-N
MW334.38 g/mol
LogP1.34
Rot. Bonds4

About 3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonamide

3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonamide (PubChem CID 155630488) has the molecular formula C14H13N5O3S and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonamide
PubChem CID155630488
Molecular FormulaC14H13N5O3S
Molecular Weight334.38 g/mol
Exact Mass334.09
IUPAC Name3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonamide
SMILES[2H]C([2H])([2H])c1ccc(S(N)(=O)=O)cc1-c1cnc(N)c(-c2cnco2)n1
InChIInChI=1S/C14H13N5O3S/c1-8-2-3-9(23(16,20)21)4-10(8)11-5-18-14(15)13(19-11)12-6-17-7-22-12/h2-7H,1H3,(H2,15,18)(H2,16,20,21)/i1D3
InChIKeyHKRRINPXGIASFV-FIBGUPNXSA-N
XLogP1.34
TPSA137.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonyl chloride
CID 142611434
3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-N-(2-azabicyclo[2.1.1]hexan-4-yl)-4-(trideuteriomethyl)benzenesulfonamide
CID 155210292
3-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 118470319
[3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]phenyl]methanol;ethane
CID 142827331
3-[5-amino-6-(2-methyl-1,3-oxazol-5-yl)pyrazin-2-yl]-N-(4-cyano-1-bicyclo[2.1.1]hexanyl)-4-methylbenzenesulfonamide
CID 164607362
3-[5-amino-6-(1,3-oxazol-2-yl)pyrazin-2-yl]-N-(4-cyano-1-bicyclo[2.1.1]hexanyl)-4-methylbenzenesulfonamide
CID 164607366
3-[5-amino-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-4-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 162074354
3-(5-amino-6-pyrimidin-4-ylpyrazin-2-yl)-N-(4-hydroxy-1-bicyclo[2.1.1]hexanyl)-4-methylbenzenesulfonamide
CID 164607375
3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2S)-2-hydroxypropyl]-4-methylbenzenesulfonamide;sulfane
CID 161344874
3-[5-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]-N-(4,4-difluorocyclohexyl)-4-methylbenzenesulfonamide
CID 118470462
3-[5-amino-6-(2-methyl-4-pyridinyl)pyrazin-2-yl]-N-[(2R)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 126570018
3-[5-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-4-methyl-N-[(2-methyloxolan-2-yl)methyl]benzenesulfonamide
CID 118470485

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonamide?
The IUPAC name of 3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonamide (CID 155630488) is 3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonamide.
What is the SMILES notation for 3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonamide?
The canonical SMILES for 3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonamide is [2H]C([2H])([2H])c1ccc(S(N)(=O)=O)cc1-c1cnc(N)c(-c2cnco2)n1.
What is the InChIKey of 3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonamide?
The InChIKey is HKRRINPXGIASFV-FIBGUPNXSA-N. The full InChI is InChI=1S/C14H13N5O3S/c1-8-2-3-9(23(16,20)21)4-10(8)11-5-18-14(15)13(19-11)12-6-17-7-22-12/h2-7H,1H3,(H2,15,18)(H2,16,20,21)/i1D3.
What are the key properties of 3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonamide?
3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonamide has a molecular weight of 334.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-6-(1,3-oxazol-5-yl)pyrazin-2-yl]-4-(trideuteriomethyl)benzenesulfonamide is sourced from PubChem (CID 155630488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).