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

C8H5BrN2OS — CID 64624691

IUPAC2-bromo-5-phenoxy-1,3,4-thiadiazole
SMILESBrc1nnc(Oc2ccccc2)s1
InChIInChI=1S/C8H5BrN2OS/c9-7-10-11-8(13-7)12-6-4-2-1-3-5-6/h1-5H
InChIKeyQDDDZKRDGBWLPP-UHFFFAOYSA-N
MW257.11 g/mol
LogP3.09
Rot. Bonds2

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

2-bromo-5-phenoxy-1,3,4-thiadiazole (PubChem CID 64624691) has the molecular formula C8H5BrN2OS and a molecular weight of 257.11 g/mol. Its IUPAC name is 2-bromo-5-phenoxy-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-phenoxy-1,3,4-thiadiazole
PubChem CID64624691
Molecular FormulaC8H5BrN2OS
Molecular Weight257.11 g/mol
Exact Mass255.93
IUPAC Name2-bromo-5-phenoxy-1,3,4-thiadiazole
SMILESBrc1nnc(Oc2ccccc2)s1
InChIInChI=1S/C8H5BrN2OS/c9-7-10-11-8(13-7)12-6-4-2-1-3-5-6/h1-5H
InChIKeyQDDDZKRDGBWLPP-UHFFFAOYSA-N
XLogP3.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-phenoxy-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-phenoxy-1,3,4-thiadiazole (CID 64624691) is 2-bromo-5-phenoxy-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-phenoxy-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-phenoxy-1,3,4-thiadiazole is Brc1nnc(Oc2ccccc2)s1.
What is the InChIKey of 2-bromo-5-phenoxy-1,3,4-thiadiazole?
The InChIKey is QDDDZKRDGBWLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2OS/c9-7-10-11-8(13-7)12-6-4-2-1-3-5-6/h1-5H.
What are the key properties of 2-bromo-5-phenoxy-1,3,4-thiadiazole?
2-bromo-5-phenoxy-1,3,4-thiadiazole has a molecular weight of 257.11 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-phenoxy-1,3,4-thiadiazole is sourced from PubChem (CID 64624691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).