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

C13H16BrN3OS — CID 56955895

IUPAC4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide
SMILESBr.c1ccc(C2=NN=C(N3CCOCC3)SC2)cc1
InChIInChI=1S/C13H15N3OS.BrH/c1-2-4-11(5-3-1)12-10-18-13(15-14-12)16-6-8-17-9-7-16;/h1-5H,6-10H2;1H
InChIKeyBEXCSSMLZBBBPJ-UHFFFAOYSA-N
MW342.26 g/mol
LogP2.40
Rot. Bonds1

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

4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide (PubChem CID 56955895) has the molecular formula C13H16BrN3OS and a molecular weight of 342.26 g/mol. Its IUPAC name is 4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide.

Molecular Properties

Compound Name4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide
PubChem CID56955895
Molecular FormulaC13H16BrN3OS
Molecular Weight342.26 g/mol
Exact Mass341.02
IUPAC Name4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide
SMILESBr.c1ccc(C2=NN=C(N3CCOCC3)SC2)cc1
InChIInChI=1S/C13H15N3OS.BrH/c1-2-4-11(5-3-1)12-10-18-13(15-14-12)16-6-8-17-9-7-16;/h1-5H,6-10H2;1H
InChIKeyBEXCSSMLZBBBPJ-UHFFFAOYSA-N
XLogP2.40
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.26
LogP ≤ 52.40
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
4-(5-Benzyl-4,5-dihydro-1,3-thiazol-2-yl)morpholine
CID 4102420
2-Morpholino-5-phenyl-6h-1,3,4-thiadiazine
CID 12356178
2-Morpholino-5-phenyl-6h-1,3,4-thiadiazine hydrochloride
CID 17827235
1-[5-(4-fluorophenyl)-2-morpholin-4-yl-6H-1,3,4-thiadiazin-6-yl]propan-2-amine
CID 153911117
2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine
CID 10048629
2-Thiomorpholin-4-yl-5-phenyl-6h-1,3,4-thiadiazine hydrobromide
CID 129870331
2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225344
5-(4-fluorophenyl)-2-piperidin-1-yl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225354
4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide
CID 139225355
2-ethoxy-1-[4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)piperazin-1-yl]ethanone
CID 45504274
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-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide?
The IUPAC name of 4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide (CID 56955895) is 4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide.
What is the SMILES notation for 4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide?
The canonical SMILES for 4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide is Br.c1ccc(C2=NN=C(N3CCOCC3)SC2)cc1.
What is the InChIKey of 4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide?
The InChIKey is BEXCSSMLZBBBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS.BrH/c1-2-4-11(5-3-1)12-10-18-13(15-14-12)16-6-8-17-9-7-16;/h1-5H,6-10H2;1H.
What are the key properties of 4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide?
4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide has a molecular weight of 342.26 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide is sourced from PubChem (CID 56955895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).