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

C15H12FN3S — CID 135728913

IUPAC5-(3-fluorophenyl)-N-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESFc1cccc(C2=NN/C(=N/c3ccccc3)SC2)c1
InChIInChI=1S/C15H12FN3S/c16-12-6-4-5-11(9-12)14-10-20-15(19-18-14)17-13-7-2-1-3-8-13/h1-9H,10H2,(H,17,19)
InChIKeyGJHKOTZHKRWTAR-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.55
Rot. Bonds2

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

5-(3-fluorophenyl)-N-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 135728913) has the molecular formula C15H12FN3S and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID135728913
Molecular FormulaC15H12FN3S
Molecular Weight285.35 g/mol
Exact Mass285.07
IUPAC Name5-(3-fluorophenyl)-N-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESFc1cccc(C2=NN/C(=N/c3ccccc3)SC2)c1
InChIInChI=1S/C15H12FN3S/c16-12-6-4-5-11(9-12)14-10-20-15(19-18-14)17-13-7-2-1-3-8-13/h1-9H,10H2,(H,17,19)
InChIKeyGJHKOTZHKRWTAR-UHFFFAOYSA-N
XLogP3.55
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.55
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-(3-fluorophenyl)-N-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of 5-(3-fluorophenyl)-N-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine (CID 135728913) is 5-(3-fluorophenyl)-N-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for 5-(3-fluorophenyl)-N-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for 5-(3-fluorophenyl)-N-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine is Fc1cccc(C2=NN/C(=N/c3ccccc3)SC2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is GJHKOTZHKRWTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3S/c16-12-6-4-5-11(9-12)14-10-20-15(19-18-14)17-13-7-2-1-3-8-13/h1-9H,10H2,(H,17,19).
What are the key properties of 5-(3-fluorophenyl)-N-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
5-(3-fluorophenyl)-N-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 285.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-phenyl-3,6-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 135728913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).