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

C23H24F2N6O2S — CID 135143218

IUPAC3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-imidazol-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(OCCn4ccnc4)cn3)ccc2F)CS1=O
InChIInChI=1S/C23H24F2N6O2S/c1-23(2)22(26)30-20(13-34(23)32)16-9-15(3-4-17(16)24)10-18(25)19-11-29-21(12-28-19)33-8-7-31-6-5-27-14-31/h3-6,9-12,14,20H,7-8,13H2,1-2H3,(H2,26,30)/b18-10-
InChIKeyUOUKKYALBFLYGA-ZDLGFXPLSA-N
MW486.55 g/mol
LogP3.30
Rot. Bonds7

About 3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-imidazol-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-imidazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine (PubChem CID 135143218) 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-imidazol-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-imidazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine
PubChem CID135143218
Molecular FormulaC23H24F2N6O2S
Molecular Weight486.55 g/mol
Exact Mass486.16
IUPAC Name3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-imidazol-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(OCCn4ccnc4)cn3)ccc2F)CS1=O
InChIInChI=1S/C23H24F2N6O2S/c1-23(2)22(26)30-20(13-34(23)32)16-9-15(3-4-17(16)24)10-18(25)19-11-29-21(12-28-19)33-8-7-31-6-5-27-14-31/h3-6,9-12,14,20H,7-8,13H2,1-2H3,(H2,26,30)/b18-10-
InChIKeyUOUKKYALBFLYGA-ZDLGFXPLSA-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-imidazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-imidazol-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-imidazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine (CID 135143218) is 3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-imidazol-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-imidazol-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-imidazol-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(OCCn4ccnc4)cn3)ccc2F)CS1=O.
What is the InChIKey of 3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-imidazol-1-ylethoxy)pyrazin-2-yl]ethenyl]phenyl]-6,6-dimethyl-1-oxo-2,3-dihydro-1,4-thiazin-5-amine?
The InChIKey is UOUKKYALBFLYGA-ZDLGFXPLSA-N. The full InChI is InChI=1S/C23H24F2N6O2S/c1-23(2)22(26)30-20(13-34(23)32)16-9-15(3-4-17(16)24)10-18(25)19-11-29-21(12-28-19)33-8-7-31-6-5-27-14-31/h3-6,9-12,14,20H,7-8,13H2,1-2H3,(H2,26,30)/b18-10-.
What are the key properties of 3-[2-fluoro-5-[(Z)-2-fluoro-2-[5-(2-imidazol-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-imidazol-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-imidazol-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 135143218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).