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

C14H11FN4S — CID 136803517

IUPAC5-(4-fluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESFc1ccc(C2=NNC(=Nc3ccccn3)SC2)cc1
InChIInChI=1S/C14H11FN4S/c15-11-6-4-10(5-7-11)12-9-20-14(19-18-12)17-13-3-1-2-8-16-13/h1-8H,9H2,(H,16,17,19)
InChIKeySWYNABPRQGIZQB-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.95
Rot. Bonds2

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

5-(4-fluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine (PubChem CID 136803517) has the molecular formula C14H11FN4S and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine
PubChem CID136803517
Molecular FormulaC14H11FN4S
Molecular Weight286.34 g/mol
Exact Mass286.07
IUPAC Name5-(4-fluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine
SMILESFc1ccc(C2=NNC(=Nc3ccccn3)SC2)cc1
InChIInChI=1S/C14H11FN4S/c15-11-6-4-10(5-7-11)12-9-20-14(19-18-12)17-13-3-1-2-8-16-13/h1-8H,9H2,(H,16,17,19)
InChIKeySWYNABPRQGIZQB-UHFFFAOYSA-N
XLogP2.95
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.95
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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Related Compounds

Isonicotinaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 9572803
N-[(Z)-(6-fluoro-1,1-dioxo-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine
CID 6217618
N-[(E)-(2,6-difluorophenyl)methylideneamino]pyridin-2-amine
CID 9640541
N-[(E)-(3-fluorophenyl)methylideneamino]pyridin-2-amine
CID 9662457
N-[(E)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]pyridin-2-amine
CID 9665691
Nicotinaldehyde (4-phenyl-1,3-thiazol-2-yl)hydrazone
CID 5344592
(E)-4-(4-fluorophenyl)-N-prop-2-enyl-3-[(E)-pyridin-2-ylmethylideneamino]-1,3-thiazol-2-imine
CID 6905603
4-Fluorobenzaldehyde 2-pyridinylhydrazone
CID 9641019
4-(2-fluorophenyl)-N-methyl-3-[1-(3-pyridinyl)ethylideneamino]-2-thiazolimine
CID 9666217
4-(4-fluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
CID 24310986
4-(4-fluorophenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine
CID 24310987
4-(2,4-difluorophenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
CID 71449402

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The IUPAC name of 5-(4-fluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine (CID 136803517) is 5-(4-fluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine.
What is the SMILES notation for 5-(4-fluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The canonical SMILES for 5-(4-fluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine is Fc1ccc(C2=NNC(=Nc3ccccn3)SC2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
The InChIKey is SWYNABPRQGIZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4S/c15-11-6-4-10(5-7-11)12-9-20-14(19-18-12)17-13-3-1-2-8-16-13/h1-8H,9H2,(H,16,17,19).
What are the key properties of 5-(4-fluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine?
5-(4-fluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine has a molecular weight of 286.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-pyridin-2-yl-3,6-dihydro-1,3,4-thiadiazin-2-imine is sourced from PubChem (CID 136803517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).