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

C14H10F2N4S — CID 136790934

IUPAC5-(2,5-difluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESFc1ccc(F)c(C2=NNC(=Nc3ccccn3)SC2)c1
InChIInChI=1S/C14H10F2N4S/c15-9-4-5-11(16)10(7-9)12-8-21-14(20-19-12)18-13-3-1-2-6-17-13/h1-7H,8H2,(H,17,18,20)
InChIKeyCIRMVGHNMZWUFG-UHFFFAOYSA-N
MW304.32 g/mol
LogP3.09
Rot. Bonds2

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

5-(2,5-difluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 136790934) has the molecular formula C14H10F2N4S and a molecular weight of 304.32 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID136790934
Molecular FormulaC14H10F2N4S
Molecular Weight304.32 g/mol
Exact Mass304.06
IUPAC Name5-(2,5-difluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESFc1ccc(F)c(C2=NNC(=Nc3ccccn3)SC2)c1
InChIInChI=1S/C14H10F2N4S/c15-9-4-5-11(16)10(7-9)12-8-21-14(20-19-12)18-13-3-1-2-6-17-13/h1-7H,8H2,(H,17,18,20)
InChIKeyCIRMVGHNMZWUFG-UHFFFAOYSA-N
XLogP3.09
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,5-difluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of 5-(2,5-difluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine (CID 136790934) is 5-(2,5-difluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for 5-(2,5-difluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for 5-(2,5-difluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine is Fc1ccc(F)c(C2=NNC(=Nc3ccccn3)SC2)c1.
What is the InChIKey of 5-(2,5-difluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is CIRMVGHNMZWUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4S/c15-9-4-5-11(16)10(7-9)12-8-21-14(20-19-12)18-13-3-1-2-6-17-13/h1-7H,8H2,(H,17,18,20).
What are the key properties of 5-(2,5-difluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
5-(2,5-difluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 304.32 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 136790934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).