(5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[6-(trifluoromethyl)-3-pyridinyl]-6H-1,2,4-thiadiazin-3-amine

C17H15F5N4O2S — CID 51351840

IUPAC(5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[6-(trifluoromethyl)-3-pyridinyl]-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2ccc(F)cc2F)[C@@H](c2ccc(C(F)(F)F)nc2)S1(=O)=O
InChIInChI=1S/C17H15F5N4O2S/c1-16(11-5-4-10(18)7-12(11)19)14(29(27,28)26(2)15(23)25-16)9-3-6-13(24-8-9)17(20,21)22/h3-8,14H,1-2H3,(H2,23,25)/t14-,16-/m1/s1
InChIKeyJQVJROHRPSIFKE-GDBMZVCRSA-N
MW434.39 g/mol
LogP2.92
Rot. Bonds2

About (5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[6-(trifluoromethyl)-3-pyridinyl]-6H-1,2,4-thiadiazin-3-amine

(5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[6-(trifluoromethyl)-3-pyridinyl]-6H-1,2,4-thiadiazin-3-amine (PubChem CID 51351840) has the molecular formula C17H15F5N4O2S and a molecular weight of 434.39 g/mol. Its IUPAC name is (5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[6-(trifluoromethyl)-3-pyridinyl]-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name(5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[6-(trifluoromethyl)-3-pyridinyl]-6H-1,2,4-thiadiazin-3-amine
PubChem CID51351840
Molecular FormulaC17H15F5N4O2S
Molecular Weight434.39 g/mol
Exact Mass434.08
IUPAC Name(5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[6-(trifluoromethyl)-3-pyridinyl]-6H-1,2,4-thiadiazin-3-amine
SMILESCN1C(N)=N[C@](C)(c2ccc(F)cc2F)[C@@H](c2ccc(C(F)(F)F)nc2)S1(=O)=O
InChIInChI=1S/C17H15F5N4O2S/c1-16(11-5-4-10(18)7-12(11)19)14(29(27,28)26(2)15(23)25-16)9-3-6-13(24-8-9)17(20,21)22/h3-8,14H,1-2H3,(H2,23,25)/t14-,16-/m1/s1
InChIKeyJQVJROHRPSIFKE-GDBMZVCRSA-N
XLogP2.92
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[6-(trifluoromethyl)-3-pyridinyl]-6H-1,2,4-thiadiazin-3-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 (5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[6-(trifluoromethyl)-3-pyridinyl]-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of (5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[6-(trifluoromethyl)-3-pyridinyl]-6H-1,2,4-thiadiazin-3-amine (CID 51351840) is (5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[6-(trifluoromethyl)-3-pyridinyl]-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for (5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[6-(trifluoromethyl)-3-pyridinyl]-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for (5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[6-(trifluoromethyl)-3-pyridinyl]-6H-1,2,4-thiadiazin-3-amine is CN1C(N)=N[C@](C)(c2ccc(F)cc2F)[C@@H](c2ccc(C(F)(F)F)nc2)S1(=O)=O.
What is the InChIKey of (5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[6-(trifluoromethyl)-3-pyridinyl]-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is JQVJROHRPSIFKE-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H15F5N4O2S/c1-16(11-5-4-10(18)7-12(11)19)14(29(27,28)26(2)15(23)25-16)9-3-6-13(24-8-9)17(20,21)22/h3-8,14H,1-2H3,(H2,23,25)/t14-,16-/m1/s1.
What are the key properties of (5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[6-(trifluoromethyl)-3-pyridinyl]-6H-1,2,4-thiadiazin-3-amine?
(5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[6-(trifluoromethyl)-3-pyridinyl]-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 434.39 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[6-(trifluoromethyl)-3-pyridinyl]-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 51351840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).