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

C13H15N3O3S — CID 641400

IUPAC4-[4-(4-methoxyphenoxy)-1,2,5-thiadiazol-3-yl]morpholine
SMILESCOc1ccc(Oc2nsnc2N2CCOCC2)cc1
InChIInChI=1S/C13H15N3O3S/c1-17-10-2-4-11(5-3-10)19-13-12(14-20-15-13)16-6-8-18-9-7-16/h2-5H,6-9H2,1H3
InChIKeyYRUBSBSLSVSMEJ-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.18
Rot. Bonds4

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

4-[4-(4-methoxyphenoxy)-1,2,5-thiadiazol-3-yl]morpholine (PubChem CID 641400) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenoxy)-1,2,5-thiadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-methoxyphenoxy)-1,2,5-thiadiazol-3-yl]morpholine
PubChem CID641400
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name4-[4-(4-methoxyphenoxy)-1,2,5-thiadiazol-3-yl]morpholine
SMILESCOc1ccc(Oc2nsnc2N2CCOCC2)cc1
InChIInChI=1S/C13H15N3O3S/c1-17-10-2-4-11(5-3-10)19-13-12(14-20-15-13)16-6-8-18-9-7-16/h2-5H,6-9H2,1H3
InChIKeyYRUBSBSLSVSMEJ-UHFFFAOYSA-N
XLogP2.18
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenoxy)-1,2,5-thiadiazol-3-yl]morpholine?
The IUPAC name of 4-[4-(4-methoxyphenoxy)-1,2,5-thiadiazol-3-yl]morpholine (CID 641400) is 4-[4-(4-methoxyphenoxy)-1,2,5-thiadiazol-3-yl]morpholine.
What is the SMILES notation for 4-[4-(4-methoxyphenoxy)-1,2,5-thiadiazol-3-yl]morpholine?
The canonical SMILES for 4-[4-(4-methoxyphenoxy)-1,2,5-thiadiazol-3-yl]morpholine is COc1ccc(Oc2nsnc2N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenoxy)-1,2,5-thiadiazol-3-yl]morpholine?
The InChIKey is YRUBSBSLSVSMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-17-10-2-4-11(5-3-10)19-13-12(14-20-15-13)16-6-8-18-9-7-16/h2-5H,6-9H2,1H3.
What are the key properties of 4-[4-(4-methoxyphenoxy)-1,2,5-thiadiazol-3-yl]morpholine?
4-[4-(4-methoxyphenoxy)-1,2,5-thiadiazol-3-yl]morpholine has a molecular weight of 293.35 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenoxy)-1,2,5-thiadiazol-3-yl]morpholine is sourced from PubChem (CID 641400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).