4-(4-phenoxy-1,2,5-thiadiazol-3-yl)morpholine

C12H13N3O2S — CID 641396

IUPAC4-(4-phenoxy-1,2,5-thiadiazol-3-yl)morpholine
SMILESc1ccc(Oc2nsnc2N2CCOCC2)cc1
InChIInChI=1S/C12H13N3O2S/c1-2-4-10(5-3-1)17-12-11(13-18-14-12)15-6-8-16-9-7-15/h1-5H,6-9H2
InChIKeyURWUEKAUCPRFND-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.17
Rot. Bonds3

About 4-(4-phenoxy-1,2,5-thiadiazol-3-yl)morpholine

4-(4-phenoxy-1,2,5-thiadiazol-3-yl)morpholine (PubChem CID 641396) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-(4-phenoxy-1,2,5-thiadiazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(4-phenoxy-1,2,5-thiadiazol-3-yl)morpholine
PubChem CID641396
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4-(4-phenoxy-1,2,5-thiadiazol-3-yl)morpholine
SMILESc1ccc(Oc2nsnc2N2CCOCC2)cc1
InChIInChI=1S/C12H13N3O2S/c1-2-4-10(5-3-1)17-12-11(13-18-14-12)15-6-8-16-9-7-15/h1-5H,6-9H2
InChIKeyURWUEKAUCPRFND-UHFFFAOYSA-N
XLogP2.17
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxy-1,2,5-thiadiazol-3-yl)morpholine?
The IUPAC name of 4-(4-phenoxy-1,2,5-thiadiazol-3-yl)morpholine (CID 641396) is 4-(4-phenoxy-1,2,5-thiadiazol-3-yl)morpholine.
What is the SMILES notation for 4-(4-phenoxy-1,2,5-thiadiazol-3-yl)morpholine?
The canonical SMILES for 4-(4-phenoxy-1,2,5-thiadiazol-3-yl)morpholine is c1ccc(Oc2nsnc2N2CCOCC2)cc1.
What is the InChIKey of 4-(4-phenoxy-1,2,5-thiadiazol-3-yl)morpholine?
The InChIKey is URWUEKAUCPRFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-4-10(5-3-1)17-12-11(13-18-14-12)15-6-8-16-9-7-15/h1-5H,6-9H2.
What are the key properties of 4-(4-phenoxy-1,2,5-thiadiazol-3-yl)morpholine?
4-(4-phenoxy-1,2,5-thiadiazol-3-yl)morpholine has a molecular weight of 263.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenoxy-1,2,5-thiadiazol-3-yl)morpholine is sourced from PubChem (CID 641396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).