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

C15H18FN3S — CID 135445872

IUPACN-cyclohexyl-5-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESFc1ccc(C2=NN/C(=N/C3CCCCC3)SC2)cc1
InChIInChI=1S/C15H18FN3S/c16-12-8-6-11(7-9-12)14-10-20-15(19-18-14)17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,17,19)
InChIKeyLSFRSIXXDUFESI-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.55
Rot. Bonds2

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

N-cyclohexyl-5-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 135445872) has the molecular formula C15H18FN3S and a molecular weight of 291.39 g/mol. Its IUPAC name is N-cyclohexyl-5-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-5-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID135445872
Molecular FormulaC15H18FN3S
Molecular Weight291.39 g/mol
Exact Mass291.12
IUPAC NameN-cyclohexyl-5-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESFc1ccc(C2=NN/C(=N/C3CCCCC3)SC2)cc1
InChIInChI=1S/C15H18FN3S/c16-12-8-6-11(7-9-12)14-10-20-15(19-18-14)17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,17,19)
InChIKeyLSFRSIXXDUFESI-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 ≤ 500291.39
LogP ≤ 53.55
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-cyclohexyl-5-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of N-cyclohexyl-5-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine (CID 135445872) is N-cyclohexyl-5-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for N-cyclohexyl-5-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for N-cyclohexyl-5-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine is Fc1ccc(C2=NN/C(=N/C3CCCCC3)SC2)cc1.
What is the InChIKey of N-cyclohexyl-5-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is LSFRSIXXDUFESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3S/c16-12-8-6-11(7-9-12)14-10-20-15(19-18-14)17-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,17,19).
What are the key properties of N-cyclohexyl-5-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine?
N-cyclohexyl-5-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 291.39 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 N-cyclohexyl-5-(4-fluorophenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 135445872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).