N-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine

C16H15N3S — CID 135439878

IUPACN-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESc1ccc(C/N=C2/NN=C(c3ccccc3)CS2)cc1
InChIInChI=1S/C16H15N3S/c1-3-7-13(8-4-1)11-17-16-19-18-15(12-20-16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)
InChIKeyFFRGYUHOYHQMTA-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.28
Rot. Bonds3

About N-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine

N-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 135439878) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound NameN-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID135439878
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC NameN-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESc1ccc(C/N=C2/NN=C(c3ccccc3)CS2)cc1
InChIInChI=1S/C16H15N3S/c1-3-7-13(8-4-1)11-17-16-19-18-15(12-20-16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)
InChIKeyFFRGYUHOYHQMTA-UHFFFAOYSA-N
XLogP3.28
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of N-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine (CID 135439878) is N-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for N-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for N-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine is c1ccc(C/N=C2/NN=C(c3ccccc3)CS2)cc1.
What is the InChIKey of N-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is FFRGYUHOYHQMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-3-7-13(8-4-1)11-17-16-19-18-15(12-20-16)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19).
What are the key properties of N-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
N-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 281.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 135439878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).