3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine

C23H24F2N6O2S — CID 135143547

IUPAC3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=NC(c2cc(/C=C(\F)c3cnc(OCCn4cccn4)cn3)ccc2F)CS1=O
InChIInChI=1S/C23H24F2N6O2S/c1-23(2)22(26)30-20(14-34(23)32)16-10-15(4-5-17(16)24)11-18(25)19-12-28-21(13-27-19)33-9-8-31-7-3-6-29-31/h3-7,10-13,20H,8-9,14H2,1-2H3,(H2,26,30)/b18-11-
InChIKeyWSNYCPLDTNXNEC-WQRHYEAKSA-N
MW486.55 g/mol
LogP3.30
Rot. Bonds7

About 3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine

3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine (PubChem CID 135143547) has the molecular formula C23H24F2N6O2S and a molecular weight of 486.55 g/mol. Its IUPAC name is 3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine.

Molecular Properties

Compound Name3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine
PubChem CID135143547
Molecular FormulaC23H24F2N6O2S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC Name3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine
SMILESCC1(C)C(N)=NC(c2cc(/C=C(\F)c3cnc(OCCn4cccn4)cn3)ccc2F)CS1=O
InChIInChI=1S/C23H24F2N6O2S/c1-23(2)22(26)30-20(14-34(23)32)16-10-15(4-5-17(16)24)11-18(25)19-12-28-21(13-27-19)33-9-8-31-7-3-6-29-31/h3-7,10-13,20H,8-9,14H2,1-2H3,(H2,26,30)/b18-11-
InChIKeyWSNYCPLDTNXNEC-WQRHYEAKSA-N
XLogP3.30
TPSA108.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine?
The IUPAC name of 3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine (CID 135143547) is 3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine.
What is the SMILES notation for 3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine?
The canonical SMILES for 3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine is CC1(C)C(N)=NC(c2cc(/C=C(\F)c3cnc(OCCn4cccn4)cn3)ccc2F)CS1=O.
What is the InChIKey of 3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine?
The InChIKey is WSNYCPLDTNXNEC-WQRHYEAKSA-N. The full InChI is InChI=1S/C23H24F2N6O2S/c1-23(2)22(26)30-20(14-34(23)32)16-10-15(4-5-17(16)24)11-18(25)19-12-28-21(13-27-19)33-9-8-31-7-3-6-29-31/h3-7,10-13,20H,8-9,14H2,1-2H3,(H2,26,30)/b18-11-.
What are the key properties of 3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine?
3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine has a molecular weight of 486.55 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-pyrazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine is sourced from PubChem (CID 135143547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).