5-(2-fluorophenyl)-N-(2-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine

C16H14FN3S — CID 135458627

IUPAC5-(2-fluorophenyl)-N-(2-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESCc1ccccc1/N=C1/NN=C(c2ccccc2F)CS1
InChIInChI=1S/C16H14FN3S/c1-11-6-2-5-9-14(11)18-16-20-19-15(10-21-16)12-7-3-4-8-13(12)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeySVSVLBHIFZWSRG-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.86
Rot. Bonds2

About 5-(2-fluorophenyl)-N-(2-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine

5-(2-fluorophenyl)-N-(2-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 135458627) has the molecular formula C16H14FN3S and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(2-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(2-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID135458627
Molecular FormulaC16H14FN3S
Molecular Weight299.37 g/mol
Exact Mass299.09
IUPAC Name5-(2-fluorophenyl)-N-(2-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESCc1ccccc1/N=C1/NN=C(c2ccccc2F)CS1
InChIInChI=1S/C16H14FN3S/c1-11-6-2-5-9-14(11)18-16-20-19-15(10-21-16)12-7-3-4-8-13(12)17/h2-9H,10H2,1H3,(H,18,20)
InChIKeySVSVLBHIFZWSRG-UHFFFAOYSA-N
XLogP3.86
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_urea_L(1)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(2-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of 5-(2-fluorophenyl)-N-(2-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine (CID 135458627) is 5-(2-fluorophenyl)-N-(2-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(2-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for 5-(2-fluorophenyl)-N-(2-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine is Cc1ccccc1/N=C1/NN=C(c2ccccc2F)CS1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(2-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is SVSVLBHIFZWSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3S/c1-11-6-2-5-9-14(11)18-16-20-19-15(10-21-16)12-7-3-4-8-13(12)17/h2-9H,10H2,1H3,(H,18,20).
What are the key properties of 5-(2-fluorophenyl)-N-(2-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
5-(2-fluorophenyl)-N-(2-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 299.37 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(2-methylphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 135458627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).