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

C11H8BrClN2OS — CID 65272290

IUPAC5-(5-bromo-2-chlorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
SMILESClc1ccc(Br)cc1Oc1nc(C2CC2)ns1
InChIInChI=1S/C11H8BrClN2OS/c12-7-3-4-8(13)9(5-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2H2
InChIKeyWZJNENYAXDXACU-UHFFFAOYSA-N
MW331.62 g/mol
LogP4.62
Rot. Bonds3

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

5-(5-bromo-2-chlorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole (PubChem CID 65272290) has the molecular formula C11H8BrClN2OS and a molecular weight of 331.62 g/mol. Its IUPAC name is 5-(5-bromo-2-chlorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(5-bromo-2-chlorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
PubChem CID65272290
Molecular FormulaC11H8BrClN2OS
Molecular Weight331.62 g/mol
Exact Mass329.92
IUPAC Name5-(5-bromo-2-chlorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
SMILESClc1ccc(Br)cc1Oc1nc(C2CC2)ns1
InChIInChI=1S/C11H8BrClN2OS/c12-7-3-4-8(13)9(5-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2H2
InChIKeyWZJNENYAXDXACU-UHFFFAOYSA-N
XLogP4.62
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.62
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-Bromo-5-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
CID 81331467
5-(3-Bromo-4-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
CID 83235999
5-(5-Bromo-2,3-difluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
CID 107099574
5-(5-Bromo-2-chlorophenoxy)-3-(trifluoromethyl)-1,2,4-thiadiazole
CID 107304595
5-(5-Bromo-2-fluorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
CID 114673176
5-(5-Bromo-2-chlorophenoxy)-3-methyl-1,2,4-thiadiazole
CID 65267968
5-(3-Bromophenoxy)-3-propyl-1,2,4-thiadiazole
CID 65272122
5-(3-Bromophenoxy)-3-ethyl-1,2,4-thiadiazole
CID 65272123
5-(3-Bromophenoxy)-3-propan-2-yl-1,2,4-thiadiazole
CID 65272174
5-(3-Bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
CID 65272175
5-(2-Bromophenoxy)-3-cyclopropyl-1,2,4-thiadiazole
CID 65272231
5-(5-Bromo-2-chlorophenoxy)-3-propyl-1,2,4-thiadiazole
CID 65272234

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-chlorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The IUPAC name of 5-(5-bromo-2-chlorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole (CID 65272290) is 5-(5-bromo-2-chlorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(5-bromo-2-chlorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(5-bromo-2-chlorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole is Clc1ccc(Br)cc1Oc1nc(C2CC2)ns1.
What is the InChIKey of 5-(5-bromo-2-chlorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
The InChIKey is WZJNENYAXDXACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2OS/c12-7-3-4-8(13)9(5-7)16-11-14-10(15-17-11)6-1-2-6/h3-6H,1-2H2.
What are the key properties of 5-(5-bromo-2-chlorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole?
5-(5-bromo-2-chlorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole has a molecular weight of 331.62 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-chlorophenoxy)-3-cyclopropyl-1,2,4-thiadiazole is sourced from PubChem (CID 65272290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).