4-[4-(4-bromophenoxy)-1,2,5-thiadiazol-3-yl]morpholine

C12H12BrN3O2S — CID 641401

IUPAC4-[4-(4-bromophenoxy)-1,2,5-thiadiazol-3-yl]morpholine
SMILESBrc1ccc(Oc2nsnc2N2CCOCC2)cc1
InChIInChI=1S/C12H12BrN3O2S/c13-9-1-3-10(4-2-9)18-12-11(14-19-15-12)16-5-7-17-8-6-16/h1-4H,5-8H2
InChIKeyKZEJHALBAYTKSG-UHFFFAOYSA-N
MW342.22 g/mol
LogP2.93
Rot. Bonds3

About 4-[4-(4-bromophenoxy)-1,2,5-thiadiazol-3-yl]morpholine

4-[4-(4-bromophenoxy)-1,2,5-thiadiazol-3-yl]morpholine (PubChem CID 641401) has the molecular formula C12H12BrN3O2S and a molecular weight of 342.22 g/mol. Its IUPAC name is 4-[4-(4-bromophenoxy)-1,2,5-thiadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-bromophenoxy)-1,2,5-thiadiazol-3-yl]morpholine
PubChem CID641401
Molecular FormulaC12H12BrN3O2S
Molecular Weight342.22 g/mol
Exact Mass340.98
IUPAC Name4-[4-(4-bromophenoxy)-1,2,5-thiadiazol-3-yl]morpholine
SMILESBrc1ccc(Oc2nsnc2N2CCOCC2)cc1
InChIInChI=1S/C12H12BrN3O2S/c13-9-1-3-10(4-2-9)18-12-11(14-19-15-12)16-5-7-17-8-6-16/h1-4H,5-8H2
InChIKeyKZEJHALBAYTKSG-UHFFFAOYSA-N
XLogP2.93
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-bromophenoxy)-1,2,5-thiadiazol-3-yl]morpholine?
The IUPAC name of 4-[4-(4-bromophenoxy)-1,2,5-thiadiazol-3-yl]morpholine (CID 641401) is 4-[4-(4-bromophenoxy)-1,2,5-thiadiazol-3-yl]morpholine.
What is the SMILES notation for 4-[4-(4-bromophenoxy)-1,2,5-thiadiazol-3-yl]morpholine?
The canonical SMILES for 4-[4-(4-bromophenoxy)-1,2,5-thiadiazol-3-yl]morpholine is Brc1ccc(Oc2nsnc2N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(4-bromophenoxy)-1,2,5-thiadiazol-3-yl]morpholine?
The InChIKey is KZEJHALBAYTKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2S/c13-9-1-3-10(4-2-9)18-12-11(14-19-15-12)16-5-7-17-8-6-16/h1-4H,5-8H2.
What are the key properties of 4-[4-(4-bromophenoxy)-1,2,5-thiadiazol-3-yl]morpholine?
4-[4-(4-bromophenoxy)-1,2,5-thiadiazol-3-yl]morpholine has a molecular weight of 342.22 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-bromophenoxy)-1,2,5-thiadiazol-3-yl]morpholine is sourced from PubChem (CID 641401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).