(3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

C23H24F2N6O4S — CID 135125169

IUPAC(3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCc1nnc(COc2cnc(/C(F)=C/c3ccc(F)c([C@]4(C)CS(=O)(=O)C(C)(C)C(N)=N4)c3)cn2)o1
InChIInChI=1S/C23H24F2N6O4S/c1-13-30-31-20(35-13)11-34-19-10-27-18(9-28-19)17(25)8-14-5-6-16(24)15(7-14)23(4)12-36(32,33)22(2,3)21(26)29-23/h5-10H,11-12H2,1-4H3,(H2,26,29)/b17-8-/t23-/m0/s1
InChIKeySXCBJHXUAARZQO-GFLLXWSHSA-N
MW518.55 g/mol
LogP3.13
Rot. Bonds6

About (3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

(3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (PubChem CID 135125169) has the molecular formula C23H24F2N6O4S and a molecular weight of 518.55 g/mol. Its IUPAC name is (3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name(3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
PubChem CID135125169
Molecular FormulaC23H24F2N6O4S
Molecular Weight518.55 g/mol
Exact Mass518.15
IUPAC Name(3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCc1nnc(COc2cnc(/C(F)=C/c3ccc(F)c([C@]4(C)CS(=O)(=O)C(C)(C)C(N)=N4)c3)cn2)o1
InChIInChI=1S/C23H24F2N6O4S/c1-13-30-31-20(35-13)11-34-19-10-27-18(9-28-19)17(25)8-14-5-6-16(24)15(7-14)23(4)12-36(32,33)22(2,3)21(26)29-23/h5-10H,11-12H2,1-4H3,(H2,26,29)/b17-8-/t23-/m0/s1
InChIKeySXCBJHXUAARZQO-GFLLXWSHSA-N
XLogP3.13
TPSA146.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.55
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The IUPAC name of (3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (CID 135125169) is (3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.
What is the SMILES notation for (3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The canonical SMILES for (3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is Cc1nnc(COc2cnc(/C(F)=C/c3ccc(F)c([C@]4(C)CS(=O)(=O)C(C)(C)C(N)=N4)c3)cn2)o1.
What is the InChIKey of (3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The InChIKey is SXCBJHXUAARZQO-GFLLXWSHSA-N. The full InChI is InChI=1S/C23H24F2N6O4S/c1-13-30-31-20(35-13)11-34-19-10-27-18(9-28-19)17(25)8-14-5-6-16(24)15(7-14)23(4)12-36(32,33)22(2,3)21(26)29-23/h5-10H,11-12H2,1-4H3,(H2,26,29)/b17-8-/t23-/m0/s1.
What are the key properties of (3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
(3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine has a molecular weight of 518.55 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 135125169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).