2-bromo-5-(3,5-dimethylphenoxy)-1,3,4-thiadiazole

C10H9BrN2OS — CID 64624488

IUPAC2-bromo-5-(3,5-dimethylphenoxy)-1,3,4-thiadiazole
SMILESCc1cc(C)cc(Oc2nnc(Br)s2)c1
InChIInChI=1S/C10H9BrN2OS/c1-6-3-7(2)5-8(4-6)14-10-13-12-9(11)15-10/h3-5H,1-2H3
InChIKeyFDTXEYFEHAJFST-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.71
Rot. Bonds2

About 2-bromo-5-(3,5-dimethylphenoxy)-1,3,4-thiadiazole

2-bromo-5-(3,5-dimethylphenoxy)-1,3,4-thiadiazole (PubChem CID 64624488) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-bromo-5-(3,5-dimethylphenoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(3,5-dimethylphenoxy)-1,3,4-thiadiazole
PubChem CID64624488
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name2-bromo-5-(3,5-dimethylphenoxy)-1,3,4-thiadiazole
SMILESCc1cc(C)cc(Oc2nnc(Br)s2)c1
InChIInChI=1S/C10H9BrN2OS/c1-6-3-7(2)5-8(4-6)14-10-13-12-9(11)15-10/h3-5H,1-2H3
InChIKeyFDTXEYFEHAJFST-UHFFFAOYSA-N
XLogP3.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3,5-dimethylphenoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(3,5-dimethylphenoxy)-1,3,4-thiadiazole (CID 64624488) is 2-bromo-5-(3,5-dimethylphenoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(3,5-dimethylphenoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(3,5-dimethylphenoxy)-1,3,4-thiadiazole is Cc1cc(C)cc(Oc2nnc(Br)s2)c1.
What is the InChIKey of 2-bromo-5-(3,5-dimethylphenoxy)-1,3,4-thiadiazole?
The InChIKey is FDTXEYFEHAJFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-6-3-7(2)5-8(4-6)14-10-13-12-9(11)15-10/h3-5H,1-2H3.
What are the key properties of 2-bromo-5-(3,5-dimethylphenoxy)-1,3,4-thiadiazole?
2-bromo-5-(3,5-dimethylphenoxy)-1,3,4-thiadiazole has a molecular weight of 285.17 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3,5-dimethylphenoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 64624488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).