(6R)-5,6-diphenyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine

C17H14F3N3S — CID 136697434

IUPAC(6R)-5,6-diphenyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESFC(F)(F)C/N=C1/NN=C(c2ccccc2)[C@@H](c2ccccc2)S1
InChIInChI=1S/C17H14F3N3S/c18-17(19,20)11-21-16-23-22-14(12-7-3-1-4-8-12)15(24-16)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,21,23)/t15-/m1/s1
InChIKeyRDNFICAJQOCLJD-OAHLLOKOSA-N
MW349.38 g/mol
LogP4.39
Rot. Bonds3

About (6R)-5,6-diphenyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine

(6R)-5,6-diphenyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 136697434) has the molecular formula C17H14F3N3S and a molecular weight of 349.38 g/mol. Its IUPAC name is (6R)-5,6-diphenyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound Name(6R)-5,6-diphenyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID136697434
Molecular FormulaC17H14F3N3S
Molecular Weight349.38 g/mol
Exact Mass349.09
IUPAC Name(6R)-5,6-diphenyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESFC(F)(F)C/N=C1/NN=C(c2ccccc2)[C@@H](c2ccccc2)S1
InChIInChI=1S/C17H14F3N3S/c18-17(19,20)11-21-16-23-22-14(12-7-3-1-4-8-12)15(24-16)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,21,23)/t15-/m1/s1
InChIKeyRDNFICAJQOCLJD-OAHLLOKOSA-N
XLogP4.39
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (6R)-5,6-diphenyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine with MolForge

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Related Compounds

N-benzyl-5-(3,4-difluorophenyl)-3-methyl-6H-1,3,4-thiadiazin-2-imine
CID 4968925
N-cyclopropyl-5-phenyl-6H-1,3,4-thiadiazin-2-amine
CID 135416587
N-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135439878
5-(4-fluorophenyl)-N-propan-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135468797
N-ethyl-5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-amine
CID 135512399
N-benzyl-5-(3,4-difluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135512250
N-cyclopropyl-5-(4-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135880234
N-cyclopropyl-5-(3,4-difluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135512251
4-(4-Fluorophenyl)-6-phenyl-2h-1,3-thiazin-2-amine
CID 134691423
N-(2-methylcyclohexyl)-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135420475
N-cyclohexyl-5-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135445872
N-tert-butyl-5-(2,5-difluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135470338

Frequently Asked Questions

What is the IUPAC name of (6R)-5,6-diphenyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of (6R)-5,6-diphenyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine (CID 136697434) is (6R)-5,6-diphenyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for (6R)-5,6-diphenyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for (6R)-5,6-diphenyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine is FC(F)(F)C/N=C1/NN=C(c2ccccc2)[C@@H](c2ccccc2)S1.
What is the InChIKey of (6R)-5,6-diphenyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is RDNFICAJQOCLJD-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14F3N3S/c18-17(19,20)11-21-16-23-22-14(12-7-3-1-4-8-12)15(24-16)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,21,23)/t15-/m1/s1.
What are the key properties of (6R)-5,6-diphenyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
(6R)-5,6-diphenyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 349.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5,6-diphenyl-N-(2,2,2-trifluoroethyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 136697434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).