4-(4-ethyl-5-phenyl-6H-1,3,4-thiadiazin-4-ium-2-yl)morpholine

C15H20N3OS+ — CID 15313967

IUPAC4-(4-ethyl-5-phenyl-6H-1,3,4-thiadiazin-4-ium-2-yl)morpholine
SMILESCC[N+]1=C(c2ccccc2)CSC(N2CCOCC2)=N1
InChIInChI=1S/C15H20N3OS/c1-2-18-14(13-6-4-3-5-7-13)12-20-15(16-18)17-8-10-19-11-9-17/h3-7H,2,8-12H2,1H3/q+1
InChIKeyIDCAZYHDHUNRBS-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.86
Rot. Bonds2

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

4-(4-ethyl-5-phenyl-6H-1,3,4-thiadiazin-4-ium-2-yl)morpholine (PubChem CID 15313967) has the molecular formula C15H20N3OS+ and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(4-ethyl-5-phenyl-6H-1,3,4-thiadiazin-4-ium-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-ethyl-5-phenyl-6H-1,3,4-thiadiazin-4-ium-2-yl)morpholine
PubChem CID15313967
Molecular FormulaC15H20N3OS+
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name4-(4-ethyl-5-phenyl-6H-1,3,4-thiadiazin-4-ium-2-yl)morpholine
SMILESCC[N+]1=C(c2ccccc2)CSC(N2CCOCC2)=N1
InChIInChI=1S/C15H20N3OS/c1-2-18-14(13-6-4-3-5-7-13)12-20-15(16-18)17-8-10-19-11-9-17/h3-7H,2,8-12H2,1H3/q+1
InChIKeyIDCAZYHDHUNRBS-UHFFFAOYSA-N
XLogP1.86
TPSA27.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-Morpholino-5-(4-fluorophenyl)-6H-1,3,4-thiadiazine
CID 139225332
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-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine
CID 10048629
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
4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine
CID 15171024
4-[5-(4-phenylphenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine
CID 15171041
4-[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine
CID 15549661

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-5-phenyl-6H-1,3,4-thiadiazin-4-ium-2-yl)morpholine?
The IUPAC name of 4-(4-ethyl-5-phenyl-6H-1,3,4-thiadiazin-4-ium-2-yl)morpholine (CID 15313967) is 4-(4-ethyl-5-phenyl-6H-1,3,4-thiadiazin-4-ium-2-yl)morpholine.
What is the SMILES notation for 4-(4-ethyl-5-phenyl-6H-1,3,4-thiadiazin-4-ium-2-yl)morpholine?
The canonical SMILES for 4-(4-ethyl-5-phenyl-6H-1,3,4-thiadiazin-4-ium-2-yl)morpholine is CC[N+]1=C(c2ccccc2)CSC(N2CCOCC2)=N1.
What is the InChIKey of 4-(4-ethyl-5-phenyl-6H-1,3,4-thiadiazin-4-ium-2-yl)morpholine?
The InChIKey is IDCAZYHDHUNRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N3OS/c1-2-18-14(13-6-4-3-5-7-13)12-20-15(16-18)17-8-10-19-11-9-17/h3-7H,2,8-12H2,1H3/q+1.
What are the key properties of 4-(4-ethyl-5-phenyl-6H-1,3,4-thiadiazin-4-ium-2-yl)morpholine?
4-(4-ethyl-5-phenyl-6H-1,3,4-thiadiazin-4-ium-2-yl)morpholine has a molecular weight of 290.41 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-5-phenyl-6H-1,3,4-thiadiazin-4-ium-2-yl)morpholine is sourced from PubChem (CID 15313967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).