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

C9H15N3O2S — CID 71100575

IUPAC4-(3-propoxy-1,2,4-thiadiazol-5-yl)morpholine
SMILESCCCOc1nsc(N2CCOCC2)n1
InChIInChI=1S/C9H15N3O2S/c1-2-5-14-8-10-9(15-11-8)12-3-6-13-7-4-12/h2-7H2,1H3
InChIKeyXFLZQAQKPXPDJP-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.16
Rot. Bonds4

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

4-(3-propoxy-1,2,4-thiadiazol-5-yl)morpholine (PubChem CID 71100575) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 4-(3-propoxy-1,2,4-thiadiazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(3-propoxy-1,2,4-thiadiazol-5-yl)morpholine
PubChem CID71100575
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name4-(3-propoxy-1,2,4-thiadiazol-5-yl)morpholine
SMILESCCCOc1nsc(N2CCOCC2)n1
InChIInChI=1S/C9H15N3O2S/c1-2-5-14-8-10-9(15-11-8)12-3-6-13-7-4-12/h2-7H2,1H3
InChIKeyXFLZQAQKPXPDJP-UHFFFAOYSA-N
XLogP1.16
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propoxy-1,2,4-thiadiazol-5-yl)morpholine?
The IUPAC name of 4-(3-propoxy-1,2,4-thiadiazol-5-yl)morpholine (CID 71100575) is 4-(3-propoxy-1,2,4-thiadiazol-5-yl)morpholine.
What is the SMILES notation for 4-(3-propoxy-1,2,4-thiadiazol-5-yl)morpholine?
The canonical SMILES for 4-(3-propoxy-1,2,4-thiadiazol-5-yl)morpholine is CCCOc1nsc(N2CCOCC2)n1.
What is the InChIKey of 4-(3-propoxy-1,2,4-thiadiazol-5-yl)morpholine?
The InChIKey is XFLZQAQKPXPDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-2-5-14-8-10-9(15-11-8)12-3-6-13-7-4-12/h2-7H2,1H3.
What are the key properties of 4-(3-propoxy-1,2,4-thiadiazol-5-yl)morpholine?
4-(3-propoxy-1,2,4-thiadiazol-5-yl)morpholine has a molecular weight of 229.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propoxy-1,2,4-thiadiazol-5-yl)morpholine is sourced from PubChem (CID 71100575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).