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

C6H8IN3OS — CID 156768683

IUPAC4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine
SMILESIc1nsnc1N1CCOCC1
InChIInChI=1S/C6H8IN3OS/c7-5-6(9-12-8-5)10-1-3-11-4-2-10/h1-4H2
InChIKeyUXXJZIYHOKQDQT-UHFFFAOYSA-N
MW297.12 g/mol
LogP0.98
Rot. Bonds1

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

4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine (PubChem CID 156768683) has the molecular formula C6H8IN3OS and a molecular weight of 297.12 g/mol. Its IUPAC name is 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine
PubChem CID156768683
Molecular FormulaC6H8IN3OS
Molecular Weight297.12 g/mol
Exact Mass296.94
IUPAC Name4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine
SMILESIc1nsnc1N1CCOCC1
InChIInChI=1S/C6H8IN3OS/c7-5-6(9-12-8-5)10-1-3-11-4-2-10/h1-4H2
InChIKeyUXXJZIYHOKQDQT-UHFFFAOYSA-N
XLogP0.98
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.12
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine?
The IUPAC name of 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine (CID 156768683) is 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine.
What is the SMILES notation for 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine?
The canonical SMILES for 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine is Ic1nsnc1N1CCOCC1.
What is the InChIKey of 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine?
The InChIKey is UXXJZIYHOKQDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8IN3OS/c7-5-6(9-12-8-5)10-1-3-11-4-2-10/h1-4H2.
What are the key properties of 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine?
4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine has a molecular weight of 297.12 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodo-1,2,5-thiadiazol-3-yl)morpholine is sourced from PubChem (CID 156768683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).