5-(2,4-difluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine

C10H9F2N3S — CID 135593831

IUPAC5-(2,4-difluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESC/N=C1/NN=C(c2ccc(F)cc2F)CS1
InChIInChI=1S/C10H9F2N3S/c1-13-10-15-14-9(5-16-10)7-3-2-6(11)4-8(7)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeyUJVDARMVZJEAOM-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.99
Rot. Bonds1

About 5-(2,4-difluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine

5-(2,4-difluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 135593831) has the molecular formula C10H9F2N3S and a molecular weight of 241.27 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID135593831
Molecular FormulaC10H9F2N3S
Molecular Weight241.27 g/mol
Exact Mass241.05
IUPAC Name5-(2,4-difluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESC/N=C1/NN=C(c2ccc(F)cc2F)CS1
InChIInChI=1S/C10H9F2N3S/c1-13-10-15-14-9(5-16-10)7-3-2-6(11)4-8(7)12/h2-4H,5H2,1H3,(H,13,15)
InChIKeyUJVDARMVZJEAOM-UHFFFAOYSA-N
XLogP1.99
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.99
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 5-(2,4-difluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of 5-(2,4-difluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine (CID 135593831) is 5-(2,4-difluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for 5-(2,4-difluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine is C/N=C1/NN=C(c2ccc(F)cc2F)CS1.
What is the InChIKey of 5-(2,4-difluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is UJVDARMVZJEAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3S/c1-13-10-15-14-9(5-16-10)7-3-2-6(11)4-8(7)12/h2-4H,5H2,1H3,(H,13,15).
What are the key properties of 5-(2,4-difluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
5-(2,4-difluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 241.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 135593831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).