5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine

C83H82N16O11S9 — CID 167565217

IUPAC5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine
SMILESCOc1ncc(NCc2nccs2)nc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cccc(NCc3nccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccsc3)n2)cc1.C[C@H](Nc1cncc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccs1.Cn1ccc(CNc2cccc(-c3ccc(S(C)(=O)=O)cc3)n2)c1
InChIInChI=1S/C18H19N3O2S.C17H17N3O2S2.C16H16N4O3S2.2C16H15N3O2S2/c1-21-11-10-14(13-21)12-19-18-5-3-4-17(20-18)15-6-8-16(9-7-15)24(2,22)23;1-12(16-4-3-9-23-16)19-17-11-18-10-15(20-17)13-5-7-14(8-6-13)24(2,21)22;1-23-16-15(11-3-5-12(6-4-11)25(2,21)22)20-13(9-19-16)18-10-14-17-7-8-24-14;1-23(20,21)14-4-2-13(3-5-14)15-9-17-10-16(19-15)18-8-12-6-7-22-11-12;1-23(20,21)13-7-5-12(6-8-13)14-3-2-4-15(19-14)18-11-16-17-9-10-22-16/h3-11,13H,12H2,1-2H3,(H,19,20);3-12H,1-2H3,(H,19,20);3-9H,10H2,1-2H3,(H,18,20);2-7,9-11H,8H2,1H3,(H,18,19);2-10H,11H2,1H3,(H,18,19)/t;12-;;;/m.0.../s1
InChIKeyFEPNLRVJEQSZGH-ZDJNGQJDSA-N
MW1768.27 g/mol
LogP15.95
Rot. Bonds26

About 5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine

5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine (PubChem CID 167565217) has the molecular formula C83H82N16O11S9 and a molecular weight of 1768.27 g/mol. Its IUPAC name is 5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine
PubChem CID167565217
Molecular FormulaC83H82N16O11S9
Molecular Weight1768.27 g/mol
Exact Mass1766.38
IUPAC Name5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine
SMILESCOc1ncc(NCc2nccs2)nc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cccc(NCc3nccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccsc3)n2)cc1.C[C@H](Nc1cncc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccs1.Cn1ccc(CNc2cccc(-c3ccc(S(C)(=O)=O)cc3)n2)c1
InChIInChI=1S/C18H19N3O2S.C17H17N3O2S2.C16H16N4O3S2.2C16H15N3O2S2/c1-21-11-10-14(13-21)12-19-18-5-3-4-17(20-18)15-6-8-16(9-7-15)24(2,22)23;1-12(16-4-3-9-23-16)19-17-11-18-10-15(20-17)13-5-7-14(8-6-13)24(2,21)22;1-23-16-15(11-3-5-12(6-4-11)25(2,21)22)20-13(9-19-16)18-10-14-17-7-8-24-14;1-23(20,21)14-4-2-13(3-5-14)15-9-17-10-16(19-15)18-8-12-6-7-22-11-12;1-23(20,21)13-7-5-12(6-8-13)14-3-2-4-15(19-14)18-11-16-17-9-10-22-16/h3-11,13H,12H2,1-2H3,(H,19,20);3-12H,1-2H3,(H,19,20);3-9H,10H2,1-2H3,(H,18,20);2-7,9-11H,8H2,1H3,(H,18,19);2-10H,11H2,1H3,(H,18,19)/t;12-;;;/m.0.../s1
InChIKeyFEPNLRVJEQSZGH-ZDJNGQJDSA-N
XLogP15.95
TPSA373.91 Ų
H-Bond Donors5
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001768.27
LogP ≤ 515.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1031

Analyze 5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine?
The IUPAC name of 5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine (CID 167565217) is 5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine.
What is the SMILES notation for 5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine?
The canonical SMILES for 5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine is COc1ncc(NCc2nccs2)nc1-c1ccc(S(C)(=O)=O)cc1.CS(=O)(=O)c1ccc(-c2cccc(NCc3nccs3)n2)cc1.CS(=O)(=O)c1ccc(-c2cncc(NCc3ccsc3)n2)cc1.C[C@H](Nc1cncc(-c2ccc(S(C)(=O)=O)cc2)n1)c1cccs1.Cn1ccc(CNc2cccc(-c3ccc(S(C)(=O)=O)cc3)n2)c1.
What is the InChIKey of 5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine?
The InChIKey is FEPNLRVJEQSZGH-ZDJNGQJDSA-N. The full InChI is InChI=1S/C18H19N3O2S.C17H17N3O2S2.C16H16N4O3S2.2C16H15N3O2S2/c1-21-11-10-14(13-21)12-19-18-5-3-4-17(20-18)15-6-8-16(9-7-15)24(2,22)23;1-12(16-4-3-9-23-16)19-17-11-18-10-15(20-17)13-5-7-14(8-6-13)24(2,21)22;1-23-16-15(11-3-5-12(6-4-11)25(2,21)22)20-13(9-19-16)18-10-14-17-7-8-24-14;1-23(20,21)14-4-2-13(3-5-14)15-9-17-10-16(19-15)18-8-12-6-7-22-11-12;1-23(20,21)13-7-5-12(6-8-13)14-3-2-4-15(19-14)18-11-16-17-9-10-22-16/h3-11,13H,12H2,1-2H3,(H,19,20);3-12H,1-2H3,(H,19,20);3-9H,10H2,1-2H3,(H,18,20);2-7,9-11H,8H2,1H3,(H,18,19);2-10H,11H2,1H3,(H,18,19)/t;12-;;;/m.0.../s1.
What are the key properties of 5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine?
5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine has a molecular weight of 1768.27 g/mol, XLogP of 15.95, 26 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine;N-[(1-methylpyrrol-3-yl)methyl]-6-(4-methylsulfonylphenyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-(1,3-thiazol-2-ylmethyl)pyridin-2-amine;6-(4-methylsulfonylphenyl)-N-[(1S)-1-thiophen-2-ylethyl]pyrazin-2-amine;6-(4-methylsulfonylphenyl)-N-(thiophen-3-ylmethyl)pyrazin-2-amine is sourced from PubChem (CID 167565217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).