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

C18H17F3N4O2S — CID 135126365

IUPAC(5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-fluoro-2-pyridinyl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2cc(/C=C(\F)c3ccc(F)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C18H17F3N4O2S/c1-18(10-28(26,27)25(2)17(22)24-18)13-7-11(3-5-14(13)20)8-15(21)16-6-4-12(19)9-23-16/h3-9H,10H2,1-2H3,(H2,22,24)/b15-8-/t18-/m0/s1
InChIKeyLZFRJYNGHPKGAA-ODZYNRFZSA-N
MW410.42 g/mol
LogP2.63
Rot. Bonds3

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

(5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-fluoro-2-pyridinyl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (PubChem CID 135126365) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is (5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-fluoro-2-pyridinyl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name(5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-fluoro-2-pyridinyl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
PubChem CID135126365
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC Name(5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-fluoro-2-pyridinyl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2cc(/C=C(\F)c3ccc(F)cn3)ccc2F)CS1(=O)=O
InChIInChI=1S/C18H17F3N4O2S/c1-18(10-28(26,27)25(2)17(22)24-18)13-7-11(3-5-14(13)20)8-15(21)16-6-4-12(19)9-23-16/h3-9H,10H2,1-2H3,(H2,22,24)/b15-8-/t18-/m0/s1
InChIKeyLZFRJYNGHPKGAA-ODZYNRFZSA-N
XLogP2.63
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-fluoro-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 (5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-fluoro-2-pyridinyl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of (5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-fluoro-2-pyridinyl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine (CID 135126365) is (5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-fluoro-2-pyridinyl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for (5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-fluoro-2-pyridinyl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for (5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-fluoro-2-pyridinyl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is CN1C(N)=N[C@](C)(c2cc(/C=C(\F)c3ccc(F)cn3)ccc2F)CS1(=O)=O.
What is the InChIKey of (5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-fluoro-2-pyridinyl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is LZFRJYNGHPKGAA-ODZYNRFZSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c1-18(10-28(26,27)25(2)17(22)24-18)13-7-11(3-5-14(13)20)8-15(21)16-6-4-12(19)9-23-16/h3-9H,10H2,1-2H3,(H2,22,24)/b15-8-/t18-/m0/s1.
What are the key properties of (5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-fluoro-2-pyridinyl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine?
(5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-fluoro-2-pyridinyl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 410.42 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-fluoro-2-pyridinyl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 135126365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).