N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide)

C116H75ClF9N21O6S6 — CID 157229473

IUPACN-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide)
SMILESCc1cc2scnc2cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1cc2scnc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1cc2scnc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1cc2scnc2cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.Cc1cc2scnc2cc1-c1cnc(NC(=O)c2ccccc2F)cn1.O=C(Nc1cnc(-c2cc3scnc3cc2Cl)cn1)c1c(F)cccc1F
InChIInChI=1S/C20H13F2N3OS.2C20H14FN3OS.C19H12F2N4OS.C19H13FN4OS.C18H9ClF2N4OS/c1-11-7-17-16(24-10-27-17)8-13(11)12-5-6-18(23-9-12)25-20(26)19-14(21)3-2-4-15(19)22;2*1-12-8-18-17(23-11-26-18)9-15(12)13-6-7-19(22-10-13)24-20(25)14-4-2-3-5-16(14)21;1-10-5-16-14(24-9-27-16)6-11(10)15-7-23-17(8-22-15)25-19(26)18-12(20)3-2-4-13(18)21;1-11-6-17-15(23-10-26-17)7-13(11)16-8-22-18(9-21-16)24-19(25)12-4-2-3-5-14(12)20;19-10-5-13-15(27-8-24-13)4-9(10)14-6-23-16(7-22-14)25-18(26)17-11(20)2-1-3-12(17)21/h2-10H,1H3,(H,23,25,26);2*2-11H,1H3,(H,22,24,25);2-9H,1H3,(H,23,25,26);2-10H,1H3,(H,22,24,25);1-8H,(H,23,25,26)
InChIKeyATXYPEHVKQZXIY-UHFFFAOYSA-N
MW2257.85 g/mol
LogP29.30
Rot. Bonds18

About N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide)

N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide) (PubChem CID 157229473) has the molecular formula C116H75ClF9N21O6S6 and a molecular weight of 2257.85 g/mol. Its IUPAC name is N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide).

Molecular Properties

Compound NameN-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide)
PubChem CID157229473
Molecular FormulaC116H75ClF9N21O6S6
Molecular Weight2257.85 g/mol
Exact Mass2255.41
IUPAC NameN-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide)
SMILESCc1cc2scnc2cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1cc2scnc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1cc2scnc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1cc2scnc2cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.Cc1cc2scnc2cc1-c1cnc(NC(=O)c2ccccc2F)cn1.O=C(Nc1cnc(-c2cc3scnc3cc2Cl)cn1)c1c(F)cccc1F
InChIInChI=1S/C20H13F2N3OS.2C20H14FN3OS.C19H12F2N4OS.C19H13FN4OS.C18H9ClF2N4OS/c1-11-7-17-16(24-10-27-17)8-13(11)12-5-6-18(23-9-12)25-20(26)19-14(21)3-2-4-15(19)22;2*1-12-8-18-17(23-11-26-18)9-15(12)13-6-7-19(22-10-13)24-20(25)14-4-2-3-5-16(14)21;1-10-5-16-14(24-9-27-16)6-11(10)15-7-23-17(8-22-15)25-19(26)18-12(20)3-2-4-13(18)21;1-11-6-17-15(23-10-26-17)7-13(11)16-8-22-18(9-21-16)24-19(25)12-4-2-3-5-14(12)20;19-10-5-13-15(27-8-24-13)4-9(10)14-6-23-16(7-22-14)25-18(26)17-11(20)2-1-3-12(17)21/h2-10H,1H3,(H,23,25,26);2*2-11H,1H3,(H,22,24,25);2-9H,1H3,(H,23,25,26);2-10H,1H3,(H,22,24,25);1-8H,(H,23,25,26)
InChIKeyATXYPEHVKQZXIY-UHFFFAOYSA-N
XLogP29.30
TPSA367.95 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds18
Heavy Atoms159
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002257.85
LogP ≤ 529.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide)?
The IUPAC name of N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide) (CID 157229473) is N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide).
What is the SMILES notation for N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide)?
The canonical SMILES for N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide) is Cc1cc2scnc2cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.Cc1cc2scnc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1cc2scnc2cc1-c1ccc(NC(=O)c2ccccc2F)nc1.Cc1cc2scnc2cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1.Cc1cc2scnc2cc1-c1cnc(NC(=O)c2ccccc2F)cn1.O=C(Nc1cnc(-c2cc3scnc3cc2Cl)cn1)c1c(F)cccc1F.
What is the InChIKey of N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide)?
The InChIKey is ATXYPEHVKQZXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3OS.2C20H14FN3OS.C19H12F2N4OS.C19H13FN4OS.C18H9ClF2N4OS/c1-11-7-17-16(24-10-27-17)8-13(11)12-5-6-18(23-9-12)25-20(26)19-14(21)3-2-4-15(19)22;2*1-12-8-18-17(23-11-26-18)9-15(12)13-6-7-19(22-10-13)24-20(25)14-4-2-3-5-16(14)21;1-10-5-16-14(24-9-27-16)6-11(10)15-7-23-17(8-22-15)25-19(26)18-12(20)3-2-4-13(18)21;1-11-6-17-15(23-10-26-17)7-13(11)16-8-22-18(9-21-16)24-19(25)12-4-2-3-5-14(12)20;19-10-5-13-15(27-8-24-13)4-9(10)14-6-23-16(7-22-14)25-18(26)17-11(20)2-1-3-12(17)21/h2-10H,1H3,(H,23,25,26);2*2-11H,1H3,(H,22,24,25);2-9H,1H3,(H,23,25,26);2-10H,1H3,(H,22,24,25);1-8H,(H,23,25,26).
What are the key properties of N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide)?
N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide) has a molecular weight of 2257.85 g/mol, XLogP of 29.30, 18 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-chloro-1,3-benzothiazol-6-yl)pyrazin-2-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)pyrazin-2-yl]benzamide;bis(2-fluoro-N-[5-(6-methyl-1,3-benzothiazol-5-yl)-2-pyridinyl]benzamide) is sourced from PubChem (CID 157229473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).