2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide

C80H56F8N16O4S5 — CID 158281765

IUPAC2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide
SMILESCc1sc(-c2cnc[nH]2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1sc(-c2cnc[nH]2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.Cc1sc(-c2cncn2C)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.Cc1sc(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C22H17F2N3OS.C20H14F2N4OS.C19H13F2N5OS.C19H12F2N4OS2/c1-13-16(10-20(29-13)19-11-25-12-27(19)2)14-6-8-15(9-7-14)26-22(28)21-17(23)4-3-5-18(21)24;1-11-13(7-17(28-11)16-9-23-10-25-16)12-5-6-18(24-8-12)26-20(27)19-14(21)3-2-4-15(19)22;1-10-11(5-16(28-10)15-6-22-9-25-15)14-7-24-17(8-23-14)26-19(27)18-12(20)3-2-4-13(18)21;1-10-11(7-15(28-10)19-22-5-6-27-19)14-8-24-16(9-23-14)25-18(26)17-12(20)3-2-4-13(17)21/h3-12H,1-2H3,(H,26,28);2-10H,1H3,(H,23,25)(H,24,26,27);2-9H,1H3,(H,22,25)(H,24,26,27);2-9H,1H3,(H,24,25,26)
InChIKeyGKHMQLRXHNCHGH-UHFFFAOYSA-N
MW1617.75 g/mol
LogP20.30
Rot. Bonds16

About 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide

2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide (PubChem CID 158281765) has the molecular formula C80H56F8N16O4S5 and a molecular weight of 1617.75 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide
PubChem CID158281765
Molecular FormulaC80H56F8N16O4S5
Molecular Weight1617.75 g/mol
Exact Mass1616.31
IUPAC Name2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide
SMILESCc1sc(-c2cnc[nH]2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1sc(-c2cnc[nH]2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.Cc1sc(-c2cncn2C)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.Cc1sc(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C22H17F2N3OS.C20H14F2N4OS.C19H13F2N5OS.C19H12F2N4OS2/c1-13-16(10-20(29-13)19-11-25-12-27(19)2)14-6-8-15(9-7-14)26-22(28)21-17(23)4-3-5-18(21)24;1-11-13(7-17(28-11)16-9-23-10-25-16)12-5-6-18(24-8-12)26-20(27)19-14(21)3-2-4-15(19)22;1-10-11(5-16(28-10)15-6-22-9-25-15)14-7-24-17(8-23-14)26-19(27)18-12(20)3-2-4-13(18)21;1-10-11(7-15(28-10)19-22-5-6-27-19)14-8-24-16(9-23-14)25-18(26)17-12(20)3-2-4-13(17)21/h3-12H,1-2H3,(H,26,28);2-10H,1H3,(H,23,25)(H,24,26,27);2-9H,1H3,(H,22,25)(H,24,26,27);2-9H,1H3,(H,24,25,26)
InChIKeyGKHMQLRXHNCHGH-UHFFFAOYSA-N
XLogP20.30
TPSA268.92 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms113
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001617.75
LogP ≤ 520.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide (CID 158281765) is 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide is Cc1sc(-c2cnc[nH]2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1sc(-c2cnc[nH]2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.Cc1sc(-c2cncn2C)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1.Cc1sc(-c2nccs2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide?
The InChIKey is GKHMQLRXHNCHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3OS.C20H14F2N4OS.C19H13F2N5OS.C19H12F2N4OS2/c1-13-16(10-20(29-13)19-11-25-12-27(19)2)14-6-8-15(9-7-14)26-22(28)21-17(23)4-3-5-18(21)24;1-11-13(7-17(28-11)16-9-23-10-25-16)12-5-6-18(24-8-12)26-20(27)19-14(21)3-2-4-15(19)22;1-10-11(5-16(28-10)15-6-22-9-25-15)14-7-24-17(8-23-14)26-19(27)18-12(20)3-2-4-13(18)21;1-10-11(7-15(28-10)19-22-5-6-27-19)14-8-24-16(9-23-14)25-18(26)17-12(20)3-2-4-13(17)21/h3-12H,1-2H3,(H,26,28);2-10H,1H3,(H,23,25)(H,24,26,27);2-9H,1H3,(H,22,25)(H,24,26,27);2-9H,1H3,(H,24,25,26).
What are the key properties of 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide?
2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide has a molecular weight of 1617.75 g/mol, XLogP of 20.30, 16 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[5-(1H-imidazol-5-yl)-2-methylthiophen-3-yl]-2-pyridinyl]benzamide;2,6-difluoro-N-[4-[2-methyl-5-(3-methylimidazol-4-yl)thiophen-3-yl]phenyl]benzamide;2,6-difluoro-N-[5-[2-methyl-5-(1,3-thiazol-2-yl)thiophen-3-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 158281765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).