2-bromo-5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazole

C11H11BrN2OS — CID 64622394

IUPAC2-bromo-5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazole
SMILESCC(C)c1ccccc1Oc1nnc(Br)s1
InChIInChI=1S/C11H11BrN2OS/c1-7(2)8-5-3-4-6-9(8)15-11-14-13-10(12)16-11/h3-7H,1-2H3
InChIKeyFOWJIKYVUSIGGC-UHFFFAOYSA-N
MW299.19 g/mol
LogP4.22
Rot. Bonds3

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

2-bromo-5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazole (PubChem CID 64622394) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 2-bromo-5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazole
PubChem CID64622394
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name2-bromo-5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazole
SMILESCC(C)c1ccccc1Oc1nnc(Br)s1
InChIInChI=1S/C11H11BrN2OS/c1-7(2)8-5-3-4-6-9(8)15-11-14-13-10(12)16-11/h3-7H,1-2H3
InChIKeyFOWJIKYVUSIGGC-UHFFFAOYSA-N
XLogP4.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazole (CID 64622394) is 2-bromo-5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazole is CC(C)c1ccccc1Oc1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazole?
The InChIKey is FOWJIKYVUSIGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-7(2)8-5-3-4-6-9(8)15-11-14-13-10(12)16-11/h3-7H,1-2H3.
What are the key properties of 2-bromo-5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazole?
2-bromo-5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazole has a molecular weight of 299.19 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-propan-2-ylphenoxy)-1,3,4-thiadiazole is sourced from PubChem (CID 64622394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).