N-[4-[2,6-dimethyl-4-(5-methylpyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(4-propoxyphenoxy)phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)oxyphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide

C124H114FN17O11S7 — CID 157298346

About N-[4-[2,6-dimethyl-4-(5-methylpyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(4-propoxyphenoxy)phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)oxyphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2,6-dimethyl-4-(5-methylpyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(4-propoxyphenoxy)phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)oxyphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 157298346) has the molecular formula C124H114FN17O11S7 and a molecular weight of 2261.85 g/mol. Its IUPAC name is N-[4-[2,6-dimethyl-4-(5-methylpyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(4-propoxyphenoxy)phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)oxyphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[4-[2,6-dimethyl-4-(5-methylpyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(4-propoxyphenoxy)phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)oxyphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide
• PubChem CID: 157298346
• Molecular Formula: C124H114FN17O11S7
• Molecular Weight: 2261.85 g/mol
• Exact Mass: 2259.69
• IUPAC Name: N-[4-[2,6-dimethyl-4-(5-methylpyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(4-propoxyphenoxy)phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)oxyphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide
• SMILES: CCCOc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4cccc(F)c4)n3)c(C)c2)cc1.CCCOc1cnc(Oc2cc(C)c(-c3csc(NC(=O)c4ccccc4)n3)c(C)c2)cn1.CCCOc1cnc(Sc2cc(C)c(-c3csc(NC(=O)c4ccccc4)n3)c(C)c2)cn1.Cc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccccc4)n3)c(C)c2)nc1.Cc1cnc(Sc2cc(C)c(-c3csc(NC(=O)c4ccccc4)n3)c(C)c2)cn1
• InChI: InChI=1S/C27H25FN2O3S.C25H24N4O3S.C25H24N4O2S2.C24H21N3O2S.C23H20N4OS2/c1-4-12-32-21-8-10-22(11-9-21)33-23-13-17(2)25(18(3)14-23)24-16-34-27(29-24)30-26(31)19-6-5-7-20(28)15-19;1-4-10-31-21-13-27-22(14-26-21)32-19-11-16(2)23(17(3)12-19)20-15-33-25(28-20)29-24(30)18-8-6-5-7-9-18;1-4-10-31-21-13-27-22(14-26-21)33-19-11-16(2)23(17(3)12-19)20-15-32-25(28-20)29-24(30)18-8-6-5-7-9-18;1-15-9-10-21(25-13-15)29-19-11-16(2)22(17(3)12-19)20-14-30-24(26-20)27-23(28)18-7-5-4-6-8-18;1-14-9-18(30-20-12-24-16(3)11-25-20)10-15(2)21(14)19-13-29-23(26-19)27-22(28)17-7-5-4-6-8-17/h5-11,13-16H,4,12H2,1-3H3,(H,29,30,31);2*5-9,11-15H,4,10H2,1-3H3,(H,28,29,30);4-14H,1-3H3,(H,26,27,28);4-13H,1-3H3,(H,26,27,28)
• InChIKey: BBPHEQQVPULIFE-UHFFFAOYSA-N
• XLogP: 31.96
• TPSA: 355.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 34
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2261.85
LogP ≤ 5	31.96
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of N-[4-[2,6-dimethyl-4-(5-methylpyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(4-propoxyphenoxy)phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)oxyphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide?

The IUPAC name of N-[4-[2,6-dimethyl-4-(5-methylpyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(4-propoxyphenoxy)phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)oxyphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide (CID 157298346) is N-[4-[2,6-dimethyl-4-(5-methylpyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(4-propoxyphenoxy)phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)oxyphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide.

What is the SMILES notation for N-[4-[2,6-dimethyl-4-(5-methylpyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(4-propoxyphenoxy)phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)oxyphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide?

The canonical SMILES for N-[4-[2,6-dimethyl-4-(5-methylpyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(4-propoxyphenoxy)phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)oxyphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide is CCCOc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4cccc(F)c4)n3)c(C)c2)cc1.CCCOc1cnc(Oc2cc(C)c(-c3csc(NC(=O)c4ccccc4)n3)c(C)c2)cn1.CCCOc1cnc(Sc2cc(C)c(-c3csc(NC(=O)c4ccccc4)n3)c(C)c2)cn1.Cc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccccc4)n3)c(C)c2)nc1.Cc1cnc(Sc2cc(C)c(-c3csc(NC(=O)c4ccccc4)n3)c(C)c2)cn1.

What is the InChIKey of N-[4-[2,6-dimethyl-4-(5-methylpyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(4-propoxyphenoxy)phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)oxyphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide?

The InChIKey is BBPHEQQVPULIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN2O3S.C25H24N4O3S.C25H24N4O2S2.C24H21N3O2S.C23H20N4OS2/c1-4-12-32-21-8-10-22(11-9-21)33-23-13-17(2)25(18(3)14-23)24-16-34-27(29-24)30-26(31)19-6-5-7-20(28)15-19;1-4-10-31-21-13-27-22(14-26-21)32-19-11-16(2)23(17(3)12-19)20-15-33-25(28-20)29-24(30)18-8-6-5-7-9-18;1-4-10-31-21-13-27-22(14-26-21)33-19-11-16(2)23(17(3)12-19)20-15-32-25(28-20)29-24(30)18-8-6-5-7-9-18;1-15-9-10-21(25-13-15)29-19-11-16(2)22(17(3)12-19)20-14-30-24(26-20)27-23(28)18-7-5-4-6-8-18;1-14-9-18(30-20-12-24-16(3)11-25-20)10-15(2)21(14)19-13-29-23(26-19)27-22(28)17-7-5-4-6-8-17/h5-11,13-16H,4,12H2,1-3H3,(H,29,30,31);2*5-9,11-15H,4,10H2,1-3H3,(H,28,29,30);4-14H,1-3H3,(H,26,27,28);4-13H,1-3H3,(H,26,27,28).

What are the key properties of N-[4-[2,6-dimethyl-4-(5-methylpyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(4-propoxyphenoxy)phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)oxyphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide?

N-[4-[2,6-dimethyl-4-(5-methylpyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(4-propoxyphenoxy)phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)oxyphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 2261.85 g/mol, XLogP of 31.96, 34 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2,6-dimethyl-4-(5-methylpyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-[(5-methyl-2-pyridinyl)oxy]phenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(4-propoxyphenoxy)phenyl]-1,3-thiazol-2-yl]-3-fluorobenzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)oxyphenyl]-1,3-thiazol-2-yl]benzamide;N-[4-[2,6-dimethyl-4-(5-propoxypyrazin-2-yl)sulfanylphenyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 157298346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).