3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide

C15H13N5O3S2 — CID 130206353

IUPAC3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3nccs3)n2)cc1
InChIInChI=1S/C15H13N5O3S2/c1-25(22,23)10-4-2-9(3-5-10)11-8-18-13(16)12(19-11)14(21)20-15-17-6-7-24-15/h2-8H,1H3,(H2,16,18)(H,17,20,21)
InChIKeyGGPMVTUOLSHPQY-UHFFFAOYSA-N
MW375.44 g/mol
LogP1.84
Rot. Bonds4

About 3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide

3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide (PubChem CID 130206353) has the molecular formula C15H13N5O3S2 and a molecular weight of 375.44 g/mol. Its IUPAC name is 3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
PubChem CID130206353
Molecular FormulaC15H13N5O3S2
Molecular Weight375.44 g/mol
Exact Mass375.05
IUPAC Name3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3nccs3)n2)cc1
InChIInChI=1S/C15H13N5O3S2/c1-25(22,23)10-4-2-9(3-5-10)11-8-18-13(16)12(19-11)14(21)20-15-17-6-7-24-15/h2-8H,1H3,(H2,16,18)(H,17,20,21)
InChIKeyGGPMVTUOLSHPQY-UHFFFAOYSA-N
XLogP1.84
TPSA127.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[[3-amino-6-(4-methylsulfonylphenyl)pyrazine-2-carbonyl]amino]phenyl]sulfonylmethylphosphonic acid
CID 166681364
3-amino-N-cyclohexyl-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 52937662
N-[4-(acetylsulfamoyl)phenyl]-3-amino-6-(4-chlorophenyl)pyrazine-2-carboxamide
CID 156816991
3-amino-N-[4-(2-hydroxyprop-2-enylsulfonyl)phenyl]-6-(4-methylphenyl)pyrazine-2-carboxamide
CID 159494311
[4-[(3-amino-6-phenylpyrazine-2-carbonyl)amino]phenyl]sulfonyloxy-methylphosphinic acid
CID 175401275
3-(aminomethyl)-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 91026645
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-N-(2-amino-2-sulfanylideneethyl)-6-(4-propan-2-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 159357860
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 10346194
2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate
CID 86661489
4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295292
3-(6-amino-3-pyridinyl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
CID 162647092

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide (CID 130206353) is 3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide is CS(=O)(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3nccs3)n2)cc1.
What is the InChIKey of 3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is GGPMVTUOLSHPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3S2/c1-25(22,23)10-4-2-9(3-5-10)11-8-18-13(16)12(19-11)14(21)20-15-17-6-7-24-15/h2-8H,1H3,(H2,16,18)(H,17,20,21).
What are the key properties of 3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide?
3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 130206353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).