4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide

C13H15BrFN3OS — CID 139225355

IUPAC4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide
SMILESBr.Fc1ccc(C2=NN=C(N3CCOCC3)SC2)cc1
InChIInChI=1S/C13H14FN3OS.BrH/c14-11-3-1-10(2-4-11)12-9-19-13(16-15-12)17-5-7-18-8-6-17;/h1-4H,5-9H2;1H
InChIKeyKHTJBQKJTCJMHO-UHFFFAOYSA-N
MW360.25 g/mol
LogP2.54
Rot. Bonds1

About 4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide

4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide (PubChem CID 139225355) has the molecular formula C13H15BrFN3OS and a molecular weight of 360.25 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide
PubChem CID139225355
Molecular FormulaC13H15BrFN3OS
Molecular Weight360.25 g/mol
Exact Mass359.01
IUPAC Name4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide
SMILESBr.Fc1ccc(C2=NN=C(N3CCOCC3)SC2)cc1
InChIInChI=1S/C13H14FN3OS.BrH/c14-11-3-1-10(2-4-11)12-9-19-13(16-15-12)17-5-7-18-8-6-17;/h1-4H,5-9H2;1H
InChIKeyKHTJBQKJTCJMHO-UHFFFAOYSA-N
XLogP2.54
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Morpholino-5-(4-fluorophenyl)-6H-1,3,4-thiadiazine
CID 139225332
2-Piperidino-5-(4-fluorphenyl)-6H-1,3,4-thiadiazine
CID 139225331
2-(N-Methyl-piperazino)-5-(4-fluorophenyl)-6H-1,3,4-thiadiazine
CID 139225333
2-Morpholino-5-phenyl-6h-1,3,4-thiadiazine
CID 12356178
2-Morpholino-5-phenyl-6h-1,3,4-thiadiazine hydrochloride
CID 17827235
2-Mor-pholino-5-phenyl-6h-1,3,4-thiadiazine hydrobromide
CID 56955895
1-[5-(4-fluorophenyl)-2-morpholin-4-yl-6H-1,3,4-thiadiazin-6-yl]propan-2-amine
CID 153911117
2-Thiomorpholin-4-yl-5-(4'-fluorophenyl)-6h-1,3,4-thiadiazine hydrobromide
CID 129870446
5-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)-6H-1,3,4-thiadiazine;hydrobromide
CID 139225348
5-(4-fluorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225354
5-(4-fluorophenyl)-2-thiomorpholin-4-yl-6H-1,3,4-thiadiazine
CID 129870447
4-(5,6-diphenyl-6H-1,3,4-thiadiazin-2-yl)morpholine
CID 12332477

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide?
The IUPAC name of 4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide (CID 139225355) is 4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide?
The canonical SMILES for 4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide is Br.Fc1ccc(C2=NN=C(N3CCOCC3)SC2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide?
The InChIKey is KHTJBQKJTCJMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS.BrH/c14-11-3-1-10(2-4-11)12-9-19-13(16-15-12)17-5-7-18-8-6-17;/h1-4H,5-9H2;1H.
What are the key properties of 4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide?
4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide has a molecular weight of 360.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide is sourced from PubChem (CID 139225355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).