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

C6H8BrN3OS — CID 66634232

IUPAC4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine
SMILESBrc1nsc(N2CCOCC2)n1
InChIInChI=1S/C6H8BrN3OS/c7-5-8-6(12-9-5)10-1-3-11-4-2-10/h1-4H2
InChIKeyBKSVIIGQFAVPDP-UHFFFAOYSA-N
MW250.12 g/mol
LogP1.14
Rot. Bonds1

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

4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine (PubChem CID 66634232) has the molecular formula C6H8BrN3OS and a molecular weight of 250.12 g/mol. Its IUPAC name is 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine.

Molecular Properties

Compound Name4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine
PubChem CID66634232
Molecular FormulaC6H8BrN3OS
Molecular Weight250.12 g/mol
Exact Mass248.96
IUPAC Name4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine
SMILESBrc1nsc(N2CCOCC2)n1
InChIInChI=1S/C6H8BrN3OS/c7-5-8-6(12-9-5)10-1-3-11-4-2-10/h1-4H2
InChIKeyBKSVIIGQFAVPDP-UHFFFAOYSA-N
XLogP1.14
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine?
The IUPAC name of 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine (CID 66634232) is 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine.
What is the SMILES notation for 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine?
The canonical SMILES for 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine is Brc1nsc(N2CCOCC2)n1.
What is the InChIKey of 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine?
The InChIKey is BKSVIIGQFAVPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BrN3OS/c7-5-8-6(12-9-5)10-1-3-11-4-2-10/h1-4H2.
What are the key properties of 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine?
4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine has a molecular weight of 250.12 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine is sourced from PubChem (CID 66634232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).