5-bromo-3-methoxy-1,2,4-thiadiazole

C3H3BrN2OS — CID 83879207

IUPAC5-bromo-3-methoxy-1,2,4-thiadiazole
SMILESCOc1nsc(Br)n1
InChIInChI=1S/C3H3BrN2OS/c1-7-3-5-2(4)8-6-3/h1H3
InChIKeyGEMUSWTWMXODAX-UHFFFAOYSA-N
MW195.04 g/mol
LogP1.31
Rot. Bonds1

About 5-bromo-3-methoxy-1,2,4-thiadiazole

5-bromo-3-methoxy-1,2,4-thiadiazole (PubChem CID 83879207) has the molecular formula C3H3BrN2OS and a molecular weight of 195.04 g/mol. Its IUPAC name is 5-bromo-3-methoxy-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-methoxy-1,2,4-thiadiazole
PubChem CID83879207
Molecular FormulaC3H3BrN2OS
Molecular Weight195.04 g/mol
Exact Mass193.91
IUPAC Name5-bromo-3-methoxy-1,2,4-thiadiazole
SMILESCOc1nsc(Br)n1
InChIInChI=1S/C3H3BrN2OS/c1-7-3-5-2(4)8-6-3/h1H3
InChIKeyGEMUSWTWMXODAX-UHFFFAOYSA-N
XLogP1.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.04
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methoxy-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-methoxy-1,2,4-thiadiazole (CID 83879207) is 5-bromo-3-methoxy-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-methoxy-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-methoxy-1,2,4-thiadiazole is COc1nsc(Br)n1.
What is the InChIKey of 5-bromo-3-methoxy-1,2,4-thiadiazole?
The InChIKey is GEMUSWTWMXODAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrN2OS/c1-7-3-5-2(4)8-6-3/h1H3.
What are the key properties of 5-bromo-3-methoxy-1,2,4-thiadiazole?
5-bromo-3-methoxy-1,2,4-thiadiazole has a molecular weight of 195.04 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methoxy-1,2,4-thiadiazole is sourced from PubChem (CID 83879207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).