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

C15H20BrN3OS — CID 17163611

IUPAC2,6-dimethyl-4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide
SMILESBr.CC1CN(C2=NN=C(c3ccccc3)CS2)CC(C)O1
InChIInChI=1S/C15H19N3OS.BrH/c1-11-8-18(9-12(2)19-11)15-17-16-14(10-20-15)13-6-4-3-5-7-13;/h3-7,11-12H,8-10H2,1-2H3;1H
InChIKeyPSJHVVNYJYZSFF-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.18
Rot. Bonds1

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

2,6-dimethyl-4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide (PubChem CID 17163611) has the molecular formula C15H20BrN3OS and a molecular weight of 370.32 g/mol. Its IUPAC name is 2,6-dimethyl-4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide.

Molecular Properties

Compound Name2,6-dimethyl-4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide
PubChem CID17163611
Molecular FormulaC15H20BrN3OS
Molecular Weight370.32 g/mol
Exact Mass369.05
IUPAC Name2,6-dimethyl-4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide
SMILESBr.CC1CN(C2=NN=C(c3ccccc3)CS2)CC(C)O1
InChIInChI=1S/C15H19N3OS.BrH/c1-11-8-18(9-12(2)19-11)15-17-16-14(10-20-15)13-6-4-3-5-7-13;/h3-7,11-12H,8-10H2,1-2H3;1H
InChIKeyPSJHVVNYJYZSFF-UHFFFAOYSA-N
XLogP3.18
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.18
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-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-phenyl-6h-1,3,4-thiadiazine hydrobromide
CID 129870331
2-(4-methylpiperazin-1-yl)-5-phenyl-6H-1,3,4-thiadiazine;hydrobromide
CID 139225344
4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide
CID 139225355
4-(5,6-diphenyl-6H-1,3,4-thiadiazin-2-yl)morpholine
CID 12332477
5-phenyl-2-piperidin-1-yl-6H-1,3,4-thiadiazine
CID 12356177
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

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide?
The IUPAC name of 2,6-dimethyl-4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide (CID 17163611) is 2,6-dimethyl-4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide.
What is the SMILES notation for 2,6-dimethyl-4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide?
The canonical SMILES for 2,6-dimethyl-4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide is Br.CC1CN(C2=NN=C(c3ccccc3)CS2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide?
The InChIKey is PSJHVVNYJYZSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS.BrH/c1-11-8-18(9-12(2)19-11)15-17-16-14(10-20-15)13-6-4-3-5-7-13;/h3-7,11-12H,8-10H2,1-2H3;1H.
What are the key properties of 2,6-dimethyl-4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide?
2,6-dimethyl-4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide has a molecular weight of 370.32 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide is sourced from PubChem (CID 17163611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).