6-(3-fluorophenyl)-5-(1,3-thiazol-5-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-amine;6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-amine

C39H30FN13O2S2 — CID 159282181

About 6-(3-fluorophenyl)-5-(1,3-thiazol-5-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-amine;6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-amine

6-(3-fluorophenyl)-5-(1,3-thiazol-5-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-amine;6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-amine (PubChem CID 159282181) has the molecular formula C39H30FN13O2S2 and a molecular weight of 795.89 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-5-(1,3-thiazol-5-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-amine;6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-amine.

Molecular Properties

• Compound Name: 6-(3-fluorophenyl)-5-(1,3-thiazol-5-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-amine;6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-amine
• PubChem CID: 159282181
• Molecular Formula: C39H30FN13O2S2
• Molecular Weight: 795.89 g/mol
• Exact Mass: 795.21
• IUPAC Name: 6-(3-fluorophenyl)-5-(1,3-thiazol-5-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-amine;6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-amine
• SMILES: CSc1nccc(-c2ncc(N)nc2-c2ccco2)n1.Nc1cnc(-c2ccncc2)c(-c2ccco2)n1.Nc1cnc(-c2cncs2)c(-c2cccc(F)c2)n1
• InChI: InChI=1S/C13H9FN4S.C13H11N5OS.C13H10N4O/c14-9-3-1-2-8(4-9)12-13(10-5-16-7-19-10)17-6-11(15)18-12;1-20-13-15-5-4-8(17-13)11-12(9-3-2-6-19-9)18-10(14)7-16-11;14-11-8-16-12(9-3-5-15-6-4-9)13(17-11)10-2-1-7-18-10/h1-7H,(H2,15,18);2-7H,1H3,(H2,14,18);1-8H,(H2,14,17)
• InChIKey: KZBDQJLTJPRTOS-UHFFFAOYSA-N
• XLogP: 7.87
• TPSA: 233.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	795.89
LogP ≤ 5	7.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-5-(1,3-thiazol-5-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-amine;6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-amine?

The IUPAC name of 6-(3-fluorophenyl)-5-(1,3-thiazol-5-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-amine;6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-amine (CID 159282181) is 6-(3-fluorophenyl)-5-(1,3-thiazol-5-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-amine;6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-amine.

What is the SMILES notation for 6-(3-fluorophenyl)-5-(1,3-thiazol-5-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-amine;6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-amine?

The canonical SMILES for 6-(3-fluorophenyl)-5-(1,3-thiazol-5-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-amine;6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-amine is CSc1nccc(-c2ncc(N)nc2-c2ccco2)n1.Nc1cnc(-c2ccncc2)c(-c2ccco2)n1.Nc1cnc(-c2cncs2)c(-c2cccc(F)c2)n1.

What is the InChIKey of 6-(3-fluorophenyl)-5-(1,3-thiazol-5-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-amine;6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-amine?

The InChIKey is KZBDQJLTJPRTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4S.C13H11N5OS.C13H10N4O/c14-9-3-1-2-8(4-9)12-13(10-5-16-7-19-10)17-6-11(15)18-12;1-20-13-15-5-4-8(17-13)11-12(9-3-2-6-19-9)18-10(14)7-16-11;14-11-8-16-12(9-3-5-15-6-4-9)13(17-11)10-2-1-7-18-10/h1-7H,(H2,15,18);2-7H,1H3,(H2,14,18);1-8H,(H2,14,17).

What are the key properties of 6-(3-fluorophenyl)-5-(1,3-thiazol-5-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-amine;6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-amine?

6-(3-fluorophenyl)-5-(1,3-thiazol-5-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-amine;6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-amine has a molecular weight of 795.89 g/mol, XLogP of 7.87, 7 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-fluorophenyl)-5-(1,3-thiazol-5-yl)pyrazin-2-amine;6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyrazin-2-amine;6-(furan-2-yl)-5-pyridin-4-ylpyrazin-2-amine is sourced from PubChem (CID 159282181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).