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

C13H14BrN3OS — CID 15549661

IUPAC4-[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine
SMILESBrc1cccc(C2=NN=C(N3CCOCC3)SC2)c1
InChIInChI=1S/C13H14BrN3OS/c14-11-3-1-2-10(8-11)12-9-19-13(16-15-12)17-4-6-18-7-5-17/h1-3,8H,4-7,9H2
InChIKeyKFPKSPQVTJUTCH-UHFFFAOYSA-N
MW340.25 g/mol
LogP2.59
Rot. Bonds1

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

4-[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine (PubChem CID 15549661) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is 4-[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine
PubChem CID15549661
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC Name4-[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine
SMILESBrc1cccc(C2=NN=C(N3CCOCC3)SC2)c1
InChIInChI=1S/C13H14BrN3OS/c14-11-3-1-2-10(8-11)12-9-19-13(16-15-12)17-4-6-18-7-5-17/h1-3,8H,4-7,9H2
InChIKeyKFPKSPQVTJUTCH-UHFFFAOYSA-N
XLogP2.59
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine 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-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine?
The IUPAC name of 4-[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine (CID 15549661) is 4-[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine.
What is the SMILES notation for 4-[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine?
The canonical SMILES for 4-[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine is Brc1cccc(C2=NN=C(N3CCOCC3)SC2)c1.
What is the InChIKey of 4-[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine?
The InChIKey is KFPKSPQVTJUTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c14-11-3-1-2-10(8-11)12-9-19-13(16-15-12)17-4-6-18-7-5-17/h1-3,8H,4-7,9H2.
What are the key properties of 4-[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine?
4-[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine has a molecular weight of 340.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]morpholine is sourced from PubChem (CID 15549661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).