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

C8H4BrClN2OS — CID 64624275

IUPAC2-bromo-5-(4-chlorophenoxy)-1,3,4-thiadiazole
SMILESClc1ccc(Oc2nnc(Br)s2)cc1
InChIInChI=1S/C8H4BrClN2OS/c9-7-11-12-8(14-7)13-6-3-1-5(10)2-4-6/h1-4H
InChIKeySPVMKNFOTUXORF-UHFFFAOYSA-N
MW291.56 g/mol
LogP3.75
Rot. Bonds2

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

2-bromo-5-(4-chlorophenoxy)-1,3,4-thiadiazole (PubChem CID 64624275) has the molecular formula C8H4BrClN2OS and a molecular weight of 291.56 g/mol. Its IUPAC name is 2-bromo-5-(4-chlorophenoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-chlorophenoxy)-1,3,4-thiadiazole
PubChem CID64624275
Molecular FormulaC8H4BrClN2OS
Molecular Weight291.56 g/mol
Exact Mass289.89
IUPAC Name2-bromo-5-(4-chlorophenoxy)-1,3,4-thiadiazole
SMILESClc1ccc(Oc2nnc(Br)s2)cc1
InChIInChI=1S/C8H4BrClN2OS/c9-7-11-12-8(14-7)13-6-3-1-5(10)2-4-6/h1-4H
InChIKeySPVMKNFOTUXORF-UHFFFAOYSA-N
XLogP3.75
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.56
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]-1,3,4-thiadiazole
CID 64623231
2-(4-chlorophenoxy)-1,3,4-thiadiazole
CID 134106429
2-bromo-5-(3-fluoro-4-nitrophenoxy)-1,3,4-thiadiazole
CID 64622817
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
2-(4-chlorophenoxy)-5-methyl-1,3-thiazole
CID 117190378
2-bromo-5-(2-chloro-4-methylphenoxy)-1,3,4-thiadiazole
CID 64623863
2-(4-chlorophenoxy)-4-methyl-1,3-thiazole
CID 117189244
2-bromo-5-(4-bromo-2-fluorophenoxy)-1,3,4-thiadiazole
CID 64623026
2-(4-chlorophenoxy)-1,3-benzothiazole
CID 11837172
2-bromo-5-(4-chlorophenoxy)pyridine
CID 102468097
[5-(3-chloro-4-fluorophenoxy)-1,3,4-thiadiazol-2-yl]methanol
CID 80618555
3-bromo-6-chloro-2-(4-chlorophenoxy)pyridine
CID 145104359

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-chlorophenoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(4-chlorophenoxy)-1,3,4-thiadiazole (CID 64624275) is 2-bromo-5-(4-chlorophenoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(4-chlorophenoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(4-chlorophenoxy)-1,3,4-thiadiazole is Clc1ccc(Oc2nnc(Br)s2)cc1.
What is the InChIKey of 2-bromo-5-(4-chlorophenoxy)-1,3,4-thiadiazole?
The InChIKey is SPVMKNFOTUXORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2OS/c9-7-11-12-8(14-7)13-6-3-1-5(10)2-4-6/h1-4H.
What are the key properties of 2-bromo-5-(4-chlorophenoxy)-1,3,4-thiadiazole?
2-bromo-5-(4-chlorophenoxy)-1,3,4-thiadiazole has a molecular weight of 291.56 g/mol, XLogP of 3.75, 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-chlorophenoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 64624275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).