4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(methoxymethyl)morpholine

C11H19N3O3S — CID 102558208

IUPAC4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(methoxymethyl)morpholine
SMILESCCOc1nnc(CN2CCOC(COC)C2)s1
InChIInChI=1S/C11H19N3O3S/c1-3-16-11-13-12-10(18-11)7-14-4-5-17-9(6-14)8-15-2/h9H,3-8H2,1-2H3
InChIKeyOBNNOVMSFCLBJA-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.78
Rot. Bonds6

About 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(methoxymethyl)morpholine

4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(methoxymethyl)morpholine (PubChem CID 102558208) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(methoxymethyl)morpholine.

Molecular Properties

Compound Name4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(methoxymethyl)morpholine
PubChem CID102558208
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(methoxymethyl)morpholine
SMILESCCOc1nnc(CN2CCOC(COC)C2)s1
InChIInChI=1S/C11H19N3O3S/c1-3-16-11-13-12-10(18-11)7-14-4-5-17-9(6-14)8-15-2/h9H,3-8H2,1-2H3
InChIKeyOBNNOVMSFCLBJA-UHFFFAOYSA-N
XLogP0.78
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(methoxymethyl)morpholine?
The IUPAC name of 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(methoxymethyl)morpholine (CID 102558208) is 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(methoxymethyl)morpholine.
What is the SMILES notation for 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(methoxymethyl)morpholine?
The canonical SMILES for 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(methoxymethyl)morpholine is CCOc1nnc(CN2CCOC(COC)C2)s1.
What is the InChIKey of 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(methoxymethyl)morpholine?
The InChIKey is OBNNOVMSFCLBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-3-16-11-13-12-10(18-11)7-14-4-5-17-9(6-14)8-15-2/h9H,3-8H2,1-2H3.
What are the key properties of 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(methoxymethyl)morpholine?
4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(methoxymethyl)morpholine has a molecular weight of 273.36 g/mol, XLogP of 0.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(methoxymethyl)morpholine is sourced from PubChem (CID 102558208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).