(6R)-3-phenyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6-dihydro-2H-1,2,4-oxadiazine

C16H14F3N3OS — CID 52880330

IUPAC(6R)-3-phenyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6-dihydro-2H-1,2,4-oxadiazine
SMILESFC(F)(F)c1ccc(SC[C@H]2CN=C(c3ccccc3)NO2)nc1
InChIInChI=1S/C16H14F3N3OS/c17-16(18,19)12-6-7-14(20-8-12)24-10-13-9-21-15(22-23-13)11-4-2-1-3-5-11/h1-8,13H,9-10H2,(H,21,22)/t13-/m1/s1
InChIKeyKWXXPSGHOIRXFY-CYBMUJFWSA-N
MW353.37 g/mol
LogP3.54
Rot. Bonds4

About (6R)-3-phenyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6-dihydro-2H-1,2,4-oxadiazine

(6R)-3-phenyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6-dihydro-2H-1,2,4-oxadiazine (PubChem CID 52880330) has the molecular formula C16H14F3N3OS and a molecular weight of 353.37 g/mol. Its IUPAC name is (6R)-3-phenyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6-dihydro-2H-1,2,4-oxadiazine.

Molecular Properties

Compound Name(6R)-3-phenyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6-dihydro-2H-1,2,4-oxadiazine
PubChem CID52880330
Molecular FormulaC16H14F3N3OS
Molecular Weight353.37 g/mol
Exact Mass353.08
IUPAC Name(6R)-3-phenyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6-dihydro-2H-1,2,4-oxadiazine
SMILESFC(F)(F)c1ccc(SC[C@H]2CN=C(c3ccccc3)NO2)nc1
InChIInChI=1S/C16H14F3N3OS/c17-16(18,19)12-6-7-14(20-8-12)24-10-13-9-21-15(22-23-13)11-4-2-1-3-5-11/h1-8,13H,9-10H2,(H,21,22)/t13-/m1/s1
InChIKeyKWXXPSGHOIRXFY-CYBMUJFWSA-N
XLogP3.54
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6R)-3-phenyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6-dihydro-2H-1,2,4-oxadiazine with MolForge

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Related Compounds

2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]morpholine
CID 64534066
3-phenyl-6-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-5,6-dihydro-2H-1,2,4-oxadiazine
CID 51108675
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfanyl)-5-(trifluoromethyl)pyridine
CID 79322428
N-ethyl-N-phenyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]acetamide
CID 78796903
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 17399578
2-[(2-bromophenyl)methylsulfanyl]-5-(trifluoromethyl)pyridine
CID 60632029
N-benzyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
CID 62576697
1-cyclopropyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanamine
CID 64619378
1-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 31889040
1-(2-methylphenyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 43802341
iridium;tris(2-phenyl-5-(trifluoromethyl)pyridine)
CID 173119875
trimethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]silane
CID 640487

Frequently Asked Questions

What is the IUPAC name of (6R)-3-phenyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6-dihydro-2H-1,2,4-oxadiazine?
The IUPAC name of (6R)-3-phenyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6-dihydro-2H-1,2,4-oxadiazine (CID 52880330) is (6R)-3-phenyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6-dihydro-2H-1,2,4-oxadiazine.
What is the SMILES notation for (6R)-3-phenyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6-dihydro-2H-1,2,4-oxadiazine?
The canonical SMILES for (6R)-3-phenyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6-dihydro-2H-1,2,4-oxadiazine is FC(F)(F)c1ccc(SC[C@H]2CN=C(c3ccccc3)NO2)nc1.
What is the InChIKey of (6R)-3-phenyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6-dihydro-2H-1,2,4-oxadiazine?
The InChIKey is KWXXPSGHOIRXFY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14F3N3OS/c17-16(18,19)12-6-7-14(20-8-12)24-10-13-9-21-15(22-23-13)11-4-2-1-3-5-11/h1-8,13H,9-10H2,(H,21,22)/t13-/m1/s1.
What are the key properties of (6R)-3-phenyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6-dihydro-2H-1,2,4-oxadiazine?
(6R)-3-phenyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6-dihydro-2H-1,2,4-oxadiazine has a molecular weight of 353.37 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-phenyl-6-[[5-(trifluoromethyl)-2-pyridinyl]sulfanylmethyl]-5,6-dihydro-2H-1,2,4-oxadiazine is sourced from PubChem (CID 52880330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).