5-(3-bromophenoxy)-3-propyl-1,2,4-thiadiazole

C11H11BrN2OS — CID 65272122

IUPAC5-(3-bromophenoxy)-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C11H11BrN2OS/c1-2-4-10-13-11(16-14-10)15-9-6-3-5-8(12)7-9/h3,5-7H,2,4H2,1H3
InChIKeyBWKCGYZLPYYBGS-UHFFFAOYSA-N
MW299.19 g/mol
LogP4.05
Rot. Bonds4

About 5-(3-bromophenoxy)-3-propyl-1,2,4-thiadiazole

5-(3-bromophenoxy)-3-propyl-1,2,4-thiadiazole (PubChem CID 65272122) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 5-(3-bromophenoxy)-3-propyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(3-bromophenoxy)-3-propyl-1,2,4-thiadiazole
PubChem CID65272122
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name5-(3-bromophenoxy)-3-propyl-1,2,4-thiadiazole
SMILESCCCc1nsc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C11H11BrN2OS/c1-2-4-10-13-11(16-14-10)15-9-6-3-5-8(12)7-9/h3,5-7H,2,4H2,1H3
InChIKeyBWKCGYZLPYYBGS-UHFFFAOYSA-N
XLogP4.05
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenoxy)-3-propyl-1,2,4-thiadiazole?
The IUPAC name of 5-(3-bromophenoxy)-3-propyl-1,2,4-thiadiazole (CID 65272122) is 5-(3-bromophenoxy)-3-propyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(3-bromophenoxy)-3-propyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(3-bromophenoxy)-3-propyl-1,2,4-thiadiazole is CCCc1nsc(Oc2cccc(Br)c2)n1.
What is the InChIKey of 5-(3-bromophenoxy)-3-propyl-1,2,4-thiadiazole?
The InChIKey is BWKCGYZLPYYBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-2-4-10-13-11(16-14-10)15-9-6-3-5-8(12)7-9/h3,5-7H,2,4H2,1H3.
What are the key properties of 5-(3-bromophenoxy)-3-propyl-1,2,4-thiadiazole?
5-(3-bromophenoxy)-3-propyl-1,2,4-thiadiazole has a molecular weight of 299.19 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenoxy)-3-propyl-1,2,4-thiadiazole is sourced from PubChem (CID 65272122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).