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

C10H8BrClN2OS — CID 64623857

IUPAC2-bromo-5-(4-chloro-3-ethylphenoxy)-1,3,4-thiadiazole
SMILESCCc1cc(Oc2nnc(Br)s2)ccc1Cl
InChIInChI=1S/C10H8BrClN2OS/c1-2-6-5-7(3-4-8(6)12)15-10-14-13-9(11)16-10/h3-5H,2H2,1H3
InChIKeyCDZZGIOVZBECFT-UHFFFAOYSA-N
MW319.61 g/mol
LogP4.31
Rot. Bonds3

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

2-bromo-5-(4-chloro-3-ethylphenoxy)-1,3,4-thiadiazole (PubChem CID 64623857) has the molecular formula C10H8BrClN2OS and a molecular weight of 319.61 g/mol. Its IUPAC name is 2-bromo-5-(4-chloro-3-ethylphenoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-chloro-3-ethylphenoxy)-1,3,4-thiadiazole
PubChem CID64623857
Molecular FormulaC10H8BrClN2OS
Molecular Weight319.61 g/mol
Exact Mass317.92
IUPAC Name2-bromo-5-(4-chloro-3-ethylphenoxy)-1,3,4-thiadiazole
SMILESCCc1cc(Oc2nnc(Br)s2)ccc1Cl
InChIInChI=1S/C10H8BrClN2OS/c1-2-6-5-7(3-4-8(6)12)15-10-14-13-9(11)16-10/h3-5H,2H2,1H3
InChIKeyCDZZGIOVZBECFT-UHFFFAOYSA-N
XLogP4.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.61
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-chloro-3-ethylphenoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(4-chloro-3-ethylphenoxy)-1,3,4-thiadiazole (CID 64623857) is 2-bromo-5-(4-chloro-3-ethylphenoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(4-chloro-3-ethylphenoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(4-chloro-3-ethylphenoxy)-1,3,4-thiadiazole is CCc1cc(Oc2nnc(Br)s2)ccc1Cl.
What is the InChIKey of 2-bromo-5-(4-chloro-3-ethylphenoxy)-1,3,4-thiadiazole?
The InChIKey is CDZZGIOVZBECFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2OS/c1-2-6-5-7(3-4-8(6)12)15-10-14-13-9(11)16-10/h3-5H,2H2,1H3.
What are the key properties of 2-bromo-5-(4-chloro-3-ethylphenoxy)-1,3,4-thiadiazole?
2-bromo-5-(4-chloro-3-ethylphenoxy)-1,3,4-thiadiazole has a molecular weight of 319.61 g/mol, XLogP of 4.31, 3 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-ethylphenoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 64623857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).