3-[2-fluoro-5-[2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

C24H26F2N6O3S — CID 135126342

IUPAC3-[2-fluoro-5-[2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(c2cc(C=C(F)c3cnc(OCCn4cccn4)cn3)ccc2F)CS(=O)(=O)C(C)(C)C(N)=N1
InChIInChI=1S/C24H26F2N6O3S/c1-23(2)22(27)31-24(3,15-36(23,33)34)17-11-16(5-6-18(17)25)12-19(26)20-13-29-21(14-28-20)35-10-9-32-8-4-7-30-32/h4-8,11-14H,9-10,15H2,1-3H3,(H2,27,31)
InChIKeyZPZXFRKPLMEIKY-UHFFFAOYSA-N
MW516.57 g/mol
LogP3.14
Rot. Bonds7

About 3-[2-fluoro-5-[2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

3-[2-fluoro-5-[2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (PubChem CID 135126342) has the molecular formula C24H26F2N6O3S and a molecular weight of 516.57 g/mol. Its IUPAC name is 3-[2-fluoro-5-[2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name3-[2-fluoro-5-[2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
PubChem CID135126342
Molecular FormulaC24H26F2N6O3S
Molecular Weight516.57 g/mol
Exact Mass516.18
IUPAC Name3-[2-fluoro-5-[2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
SMILESCC1(c2cc(C=C(F)c3cnc(OCCn4cccn4)cn3)ccc2F)CS(=O)(=O)C(C)(C)C(N)=N1
InChIInChI=1S/C24H26F2N6O3S/c1-23(2)22(27)31-24(3,15-36(23,33)34)17-11-16(5-6-18(17)25)12-19(26)20-13-29-21(14-28-20)35-10-9-32-8-4-7-30-32/h4-8,11-14H,9-10,15H2,1-3H3,(H2,27,31)
InChIKeyZPZXFRKPLMEIKY-UHFFFAOYSA-N
XLogP3.14
TPSA125.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.57
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[2-fluoro-5-[2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)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 3-[2-fluoro-5-[2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The IUPAC name of 3-[2-fluoro-5-[2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine (CID 135126342) is 3-[2-fluoro-5-[2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine.
What is the SMILES notation for 3-[2-fluoro-5-[2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The canonical SMILES for 3-[2-fluoro-5-[2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is CC1(c2cc(C=C(F)c3cnc(OCCn4cccn4)cn3)ccc2F)CS(=O)(=O)C(C)(C)C(N)=N1.
What is the InChIKey of 3-[2-fluoro-5-[2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
The InChIKey is ZPZXFRKPLMEIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O3S/c1-23(2)22(27)31-24(3,15-36(23,33)34)17-11-16(5-6-18(17)25)12-19(26)20-13-29-21(14-28-20)35-10-9-32-8-4-7-30-32/h4-8,11-14H,9-10,15H2,1-3H3,(H2,27,31).
What are the key properties of 3-[2-fluoro-5-[2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine?
3-[2-fluoro-5-[2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine has a molecular weight of 516.57 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-[2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 135126342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).