5-[2-fluoro-5-[2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

C19H17F5N4O3S — CID 135125162

IUPAC5-[2-fluoro-5-[2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=NC(C)(c2cc(C=C(F)c3ccc(OC(F)(F)F)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C19H17F5N4O3S/c1-18(10-32(29,30)28(2)17(25)27-18)13-7-11(3-5-14(13)20)8-15(21)16-6-4-12(9-26-16)31-19(22,23)24/h3-9H,10H2,1-2H3,(H2,25,27)
InChIKeyPAYPZUPWSYKEGB-UHFFFAOYSA-N
MW476.43 g/mol
LogP3.39
Rot. Bonds4

About 5-[2-fluoro-5-[2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

5-[2-fluoro-5-[2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 135125162) has the molecular formula C19H17F5N4O3S and a molecular weight of 476.43 g/mol. Its IUPAC name is 5-[2-fluoro-5-[2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name5-[2-fluoro-5-[2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID135125162
Molecular FormulaC19H17F5N4O3S
Molecular Weight476.43 g/mol
Exact Mass476.09
IUPAC Name5-[2-fluoro-5-[2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=NC(C)(c2cc(C=C(F)c3ccc(OC(F)(F)F)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C19H17F5N4O3S/c1-18(10-32(29,30)28(2)17(25)27-18)13-7-11(3-5-14(13)20)8-15(21)16-6-4-12(9-26-16)31-19(22,23)24/h3-9H,10H2,1-2H3,(H2,25,27)
InChIKeyPAYPZUPWSYKEGB-UHFFFAOYSA-N
XLogP3.39
TPSA97.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-fluoro-5-[2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-5-[2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of 5-[2-fluoro-5-[2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 135125162) is 5-[2-fluoro-5-[2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for 5-[2-fluoro-5-[2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for 5-[2-fluoro-5-[2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is CN1C(N)=NC(C)(c2cc(C=C(F)c3ccc(OC(F)(F)F)cn3)ccc2F)CS1(=O)=O.
What is the InChIKey of 5-[2-fluoro-5-[2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is PAYPZUPWSYKEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5N4O3S/c1-18(10-32(29,30)28(2)17(25)27-18)13-7-11(3-5-14(13)20)8-15(21)16-6-4-12(9-26-16)31-19(22,23)24/h3-9H,10H2,1-2H3,(H2,25,27).
What are the key properties of 5-[2-fluoro-5-[2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
5-[2-fluoro-5-[2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 476.43 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-5-[2-fluoro-2-[5-(trifluoromethoxy)-2-pyridinyl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 135125162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).