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

C13H15Br2N3OS — CID 17163609

IUPAC4-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide
SMILESBr.Brc1ccc(C2=NN=C(N3CCOCC3)SC2)cc1
InChIInChI=1S/C13H14BrN3OS.BrH/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;1H
InChIKeySRCXXMPKFYBIRV-UHFFFAOYSA-N
MW421.16 g/mol
LogP3.17
Rot. Bonds1

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

4-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide (PubChem CID 17163609) has the molecular formula C13H15Br2N3OS and a molecular weight of 421.16 g/mol. Its IUPAC name is 4-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide.

Molecular Properties

Compound Name4-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide
PubChem CID17163609
Molecular FormulaC13H15Br2N3OS
Molecular Weight421.16 g/mol
Exact Mass418.93
IUPAC Name4-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide
SMILESBr.Brc1ccc(C2=NN=C(N3CCOCC3)SC2)cc1
InChIInChI=1S/C13H14BrN3OS.BrH/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;1H
InChIKeySRCXXMPKFYBIRV-UHFFFAOYSA-N
XLogP3.17
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.16
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide?
The IUPAC name of 4-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide (CID 17163609) is 4-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide.
What is the SMILES notation for 4-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide?
The canonical SMILES for 4-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide is Br.Brc1ccc(C2=NN=C(N3CCOCC3)SC2)cc1.
What is the InChIKey of 4-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide?
The InChIKey is SRCXXMPKFYBIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS.BrH/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;1H.
What are the key properties of 4-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide?
4-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide has a molecular weight of 421.16 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine;hydrobromide is sourced from PubChem (CID 17163609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).