N-[5-(4-fluorophenyl)-4H-1,3,4-thiadiazin-2-yl]-1-(furan-2-yl)methanimine

C14H10FN3OS — CID 3913421

IUPACN-[5-(4-fluorophenyl)-4H-1,3,4-thiadiazin-2-yl]-1-(furan-2-yl)methanimine
SMILESFc1ccc(C2=CSC(N=Cc3ccco3)=NN2)cc1
InChIInChI=1S/C14H10FN3OS/c15-11-5-3-10(4-6-11)13-9-20-14(18-17-13)16-8-12-2-1-7-19-12/h1-9,17H
InChIKeyDTFXEQUYQYENMG-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.44
Rot. Bonds2

About N-[5-(4-fluorophenyl)-4H-1,3,4-thiadiazin-2-yl]-1-(furan-2-yl)methanimine

N-[5-(4-fluorophenyl)-4H-1,3,4-thiadiazin-2-yl]-1-(furan-2-yl)methanimine (PubChem CID 3913421) has the molecular formula C14H10FN3OS and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-4H-1,3,4-thiadiazin-2-yl]-1-(furan-2-yl)methanimine.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-4H-1,3,4-thiadiazin-2-yl]-1-(furan-2-yl)methanimine
PubChem CID3913421
Molecular FormulaC14H10FN3OS
Molecular Weight287.32 g/mol
Exact Mass287.05
IUPAC NameN-[5-(4-fluorophenyl)-4H-1,3,4-thiadiazin-2-yl]-1-(furan-2-yl)methanimine
SMILESFc1ccc(C2=CSC(N=Cc3ccco3)=NN2)cc1
InChIInChI=1S/C14H10FN3OS/c15-11-5-3-10(4-6-11)13-9-20-14(18-17-13)16-8-12-2-1-7-19-12/h1-9,17H
InChIKeyDTFXEQUYQYENMG-UHFFFAOYSA-N
XLogP3.44
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[5-(4-fluorophenyl)-4H-1,3,4-thiadiazin-2-yl]-1-(furan-2-yl)methanimine?
The IUPAC name of N-[5-(4-fluorophenyl)-4H-1,3,4-thiadiazin-2-yl]-1-(furan-2-yl)methanimine (CID 3913421) is N-[5-(4-fluorophenyl)-4H-1,3,4-thiadiazin-2-yl]-1-(furan-2-yl)methanimine.
What is the SMILES notation for N-[5-(4-fluorophenyl)-4H-1,3,4-thiadiazin-2-yl]-1-(furan-2-yl)methanimine?
The canonical SMILES for N-[5-(4-fluorophenyl)-4H-1,3,4-thiadiazin-2-yl]-1-(furan-2-yl)methanimine is Fc1ccc(C2=CSC(N=Cc3ccco3)=NN2)cc1.
What is the InChIKey of N-[5-(4-fluorophenyl)-4H-1,3,4-thiadiazin-2-yl]-1-(furan-2-yl)methanimine?
The InChIKey is DTFXEQUYQYENMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS/c15-11-5-3-10(4-6-11)13-9-20-14(18-17-13)16-8-12-2-1-7-19-12/h1-9,17H.
What are the key properties of N-[5-(4-fluorophenyl)-4H-1,3,4-thiadiazin-2-yl]-1-(furan-2-yl)methanimine?
N-[5-(4-fluorophenyl)-4H-1,3,4-thiadiazin-2-yl]-1-(furan-2-yl)methanimine has a molecular weight of 287.32 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-4H-1,3,4-thiadiazin-2-yl]-1-(furan-2-yl)methanimine is sourced from PubChem (CID 3913421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).