2-[4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexyl]-1-(2-methyl-5-phenyl-1,3-thiazol-4-yl)ethanone

C26H24F2N4OS — CID 143823723

IUPAC2-[4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexyl]-1-(2-methyl-5-phenyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(C(=O)CC2CCC(Nc3cnc4cc(F)c(F)cc4n3)CC2)c(-c2ccccc2)s1
InChIInChI=1S/C26H24F2N4OS/c1-15-30-25(26(34-15)17-5-3-2-4-6-17)23(33)11-16-7-9-18(10-8-16)31-24-14-29-21-12-19(27)20(28)13-22(21)32-24/h2-6,12-14,16,18H,7-11H2,1H3,(H,31,32)
InChIKeyRGNXGLPSLGLQLK-UHFFFAOYSA-N
MW478.57 g/mol
LogP6.58
Rot. Bonds6

About 2-[4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexyl]-1-(2-methyl-5-phenyl-1,3-thiazol-4-yl)ethanone

2-[4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexyl]-1-(2-methyl-5-phenyl-1,3-thiazol-4-yl)ethanone (PubChem CID 143823723) has the molecular formula C26H24F2N4OS and a molecular weight of 478.57 g/mol. Its IUPAC name is 2-[4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexyl]-1-(2-methyl-5-phenyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexyl]-1-(2-methyl-5-phenyl-1,3-thiazol-4-yl)ethanone
PubChem CID143823723
Molecular FormulaC26H24F2N4OS
Molecular Weight478.57 g/mol
Exact Mass478.16
IUPAC Name2-[4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexyl]-1-(2-methyl-5-phenyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(C(=O)CC2CCC(Nc3cnc4cc(F)c(F)cc4n3)CC2)c(-c2ccccc2)s1
InChIInChI=1S/C26H24F2N4OS/c1-15-30-25(26(34-15)17-5-3-2-4-6-17)23(33)11-16-7-9-18(10-8-16)31-24-14-29-21-12-19(27)20(28)13-22(21)32-24/h2-6,12-14,16,18H,7-11H2,1H3,(H,31,32)
InChIKeyRGNXGLPSLGLQLK-UHFFFAOYSA-N
XLogP6.58
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.57
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexyl]-1-(2-methyl-5-phenyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 2-[4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexyl]-1-(2-methyl-5-phenyl-1,3-thiazol-4-yl)ethanone (CID 143823723) is 2-[4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexyl]-1-(2-methyl-5-phenyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 2-[4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexyl]-1-(2-methyl-5-phenyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 2-[4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexyl]-1-(2-methyl-5-phenyl-1,3-thiazol-4-yl)ethanone is Cc1nc(C(=O)CC2CCC(Nc3cnc4cc(F)c(F)cc4n3)CC2)c(-c2ccccc2)s1.
What is the InChIKey of 2-[4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexyl]-1-(2-methyl-5-phenyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is RGNXGLPSLGLQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4OS/c1-15-30-25(26(34-15)17-5-3-2-4-6-17)23(33)11-16-7-9-18(10-8-16)31-24-14-29-21-12-19(27)20(28)13-22(21)32-24/h2-6,12-14,16,18H,7-11H2,1H3,(H,31,32).
What are the key properties of 2-[4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexyl]-1-(2-methyl-5-phenyl-1,3-thiazol-4-yl)ethanone?
2-[4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexyl]-1-(2-methyl-5-phenyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 478.57 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6,7-difluoroquinoxalin-2-yl)amino]cyclohexyl]-1-(2-methyl-5-phenyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 143823723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).