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

C13H14ClN3OS — CID 15171024

IUPAC4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine
SMILESClc1ccc(C2=NN=C(N3CCOCC3)SC2)cc1
InChIInChI=1S/C13H14ClN3OS/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
InChIKeyMBSWNVLOXGXSLN-UHFFFAOYSA-N
MW295.79 g/mol
LogP2.48
Rot. Bonds1

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

4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine (PubChem CID 15171024) has the molecular formula C13H14ClN3OS and a molecular weight of 295.79 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine
PubChem CID15171024
Molecular FormulaC13H14ClN3OS
Molecular Weight295.79 g/mol
Exact Mass295.05
IUPAC Name4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine
SMILESClc1ccc(C2=NN=C(N3CCOCC3)SC2)cc1
InChIInChI=1S/C13H14ClN3OS/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
InChIKeyMBSWNVLOXGXSLN-UHFFFAOYSA-N
XLogP2.48
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine?
The IUPAC name of 4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine (CID 15171024) is 4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine is Clc1ccc(C2=NN=C(N3CCOCC3)SC2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine?
The InChIKey is MBSWNVLOXGXSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3OS/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.
What are the key properties of 4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine?
4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine has a molecular weight of 295.79 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine is sourced from PubChem (CID 15171024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).