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

C10H9BrN2O2S — CID 64623652

IUPAC2-bromo-5-(2-ethoxyphenoxy)-1,3,4-thiadiazole
SMILESCCOc1ccccc1Oc1nnc(Br)s1
InChIInChI=1S/C10H9BrN2O2S/c1-2-14-7-5-3-4-6-8(7)15-10-13-12-9(11)16-10/h3-6H,2H2,1H3
InChIKeyVXAVMWLJKSWEKK-UHFFFAOYSA-N
MW301.17 g/mol
LogP3.49
Rot. Bonds4

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

2-bromo-5-(2-ethoxyphenoxy)-1,3,4-thiadiazole (PubChem CID 64623652) has the molecular formula C10H9BrN2O2S and a molecular weight of 301.17 g/mol. Its IUPAC name is 2-bromo-5-(2-ethoxyphenoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(2-ethoxyphenoxy)-1,3,4-thiadiazole
PubChem CID64623652
Molecular FormulaC10H9BrN2O2S
Molecular Weight301.17 g/mol
Exact Mass299.96
IUPAC Name2-bromo-5-(2-ethoxyphenoxy)-1,3,4-thiadiazole
SMILESCCOc1ccccc1Oc1nnc(Br)s1
InChIInChI=1S/C10H9BrN2O2S/c1-2-14-7-5-3-4-6-8(7)15-10-13-12-9(11)16-10/h3-6H,2H2,1H3
InChIKeyVXAVMWLJKSWEKK-UHFFFAOYSA-N
XLogP3.49
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-ethoxyphenoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(2-ethoxyphenoxy)-1,3,4-thiadiazole (CID 64623652) is 2-bromo-5-(2-ethoxyphenoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(2-ethoxyphenoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(2-ethoxyphenoxy)-1,3,4-thiadiazole is CCOc1ccccc1Oc1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-(2-ethoxyphenoxy)-1,3,4-thiadiazole?
The InChIKey is VXAVMWLJKSWEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O2S/c1-2-14-7-5-3-4-6-8(7)15-10-13-12-9(11)16-10/h3-6H,2H2,1H3.
What are the key properties of 2-bromo-5-(2-ethoxyphenoxy)-1,3,4-thiadiazole?
2-bromo-5-(2-ethoxyphenoxy)-1,3,4-thiadiazole has a molecular weight of 301.17 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-ethoxyphenoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 64623652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).