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

C10H10FN3S — CID 135593834

IUPAC5-(4-fluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESC/N=C1/NN=C(c2ccc(F)cc2)CS1
InChIInChI=1S/C10H10FN3S/c1-12-10-14-13-9(6-15-10)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14)
InChIKeyBGHDMGYBBOCDIQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.85
Rot. Bonds1

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

5-(4-fluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 135593834) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID135593834
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name5-(4-fluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESC/N=C1/NN=C(c2ccc(F)cc2)CS1
InChIInChI=1S/C10H10FN3S/c1-12-10-14-13-9(6-15-10)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14)
InChIKeyBGHDMGYBBOCDIQ-UHFFFAOYSA-N
XLogP1.85
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.85
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-(4-fluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of 5-(4-fluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine (CID 135593834) is 5-(4-fluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for 5-(4-fluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine is C/N=C1/NN=C(c2ccc(F)cc2)CS1.
What is the InChIKey of 5-(4-fluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is BGHDMGYBBOCDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-12-10-14-13-9(6-15-10)7-2-4-8(11)5-3-7/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of 5-(4-fluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
5-(4-fluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 223.28 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-methyl-3,6-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 135593834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).