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

C19H19N3OS — CID 15171041

IUPAC4-[5-(4-phenylphenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine
SMILESc1ccc(-c2ccc(C3=NN=C(N4CCOCC4)SC3)cc2)cc1
InChIInChI=1S/C19H19N3OS/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)18-14-24-19(21-20-18)22-10-12-23-13-11-22/h1-9H,10-14H2
InChIKeyUXLWQFCTDXTBBB-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.49
Rot. Bonds2

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

4-[5-(4-phenylphenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine (PubChem CID 15171041) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-[5-(4-phenylphenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-phenylphenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine
PubChem CID15171041
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name4-[5-(4-phenylphenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine
SMILESc1ccc(-c2ccc(C3=NN=C(N4CCOCC4)SC3)cc2)cc1
InChIInChI=1S/C19H19N3OS/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)18-14-24-19(21-20-18)22-10-12-23-13-11-22/h1-9H,10-14H2
InChIKeyUXLWQFCTDXTBBB-UHFFFAOYSA-N
XLogP3.49
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.49
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
4-[5-(4-fluorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide
CID 139225355
5,6-diphenyl-2-piperidin-1-yl-6H-1,3,4-thiadiazine
CID 12332476
4-(5,6-diphenyl-6H-1,3,4-thiadiazin-2-yl)morpholine
CID 12332477
1-(2-morpholin-4-yl-5-phenyl-6H-1,3,4-thiadiazin-6-yl)propan-2-amine
CID 153911113
2,6-dimethyl-4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine
CID 3155981
4-(4-ethyl-5-phenyl-6H-1,3,4-thiadiazin-4-ium-2-yl)morpholine
CID 15313967
2,6-dimethyl-4-(5-phenyl-6H-1,3,4-thiadiazin-2-yl)morpholine;hydrobromide
CID 17163611

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-phenylphenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine?
The IUPAC name of 4-[5-(4-phenylphenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine (CID 15171041) is 4-[5-(4-phenylphenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine.
What is the SMILES notation for 4-[5-(4-phenylphenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine?
The canonical SMILES for 4-[5-(4-phenylphenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine is c1ccc(-c2ccc(C3=NN=C(N4CCOCC4)SC3)cc2)cc1.
What is the InChIKey of 4-[5-(4-phenylphenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine?
The InChIKey is UXLWQFCTDXTBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)18-14-24-19(21-20-18)22-10-12-23-13-11-22/h1-9H,10-14H2.
What are the key properties of 4-[5-(4-phenylphenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine?
4-[5-(4-phenylphenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine has a molecular weight of 337.45 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-phenylphenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine is sourced from PubChem (CID 15171041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).