2-bromo-5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazole

C9H6BrClN2OS — CID 64624878

IUPAC2-bromo-5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazole
SMILESCc1cc(Oc2nnc(Br)s2)ccc1Cl
InChIInChI=1S/C9H6BrClN2OS/c1-5-4-6(2-3-7(5)11)14-9-13-12-8(10)15-9/h2-4H,1H3
InChIKeyQEWCZAXBOZSRAF-UHFFFAOYSA-N
MW305.58 g/mol
LogP4.05
Rot. Bonds2

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

2-bromo-5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazole (PubChem CID 64624878) has the molecular formula C9H6BrClN2OS and a molecular weight of 305.58 g/mol. Its IUPAC name is 2-bromo-5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazole
PubChem CID64624878
Molecular FormulaC9H6BrClN2OS
Molecular Weight305.58 g/mol
Exact Mass303.91
IUPAC Name2-bromo-5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazole
SMILESCc1cc(Oc2nnc(Br)s2)ccc1Cl
InChIInChI=1S/C9H6BrClN2OS/c1-5-4-6(2-3-7(5)11)14-9-13-12-8(10)15-9/h2-4H,1H3
InChIKeyQEWCZAXBOZSRAF-UHFFFAOYSA-N
XLogP4.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.58
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-bromo-5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazole (CID 64624878) is 2-bromo-5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazole is Cc1cc(Oc2nnc(Br)s2)ccc1Cl.
What is the InChIKey of 2-bromo-5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazole?
The InChIKey is QEWCZAXBOZSRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2OS/c1-5-4-6(2-3-7(5)11)14-9-13-12-8(10)15-9/h2-4H,1H3.
What are the key properties of 2-bromo-5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazole?
2-bromo-5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazole has a molecular weight of 305.58 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-chloro-3-methylphenoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 64624878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).