2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole

C11H11BrN2S — CID 82489508

IUPAC2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C11H11BrN2S/c1-7(2)10-13-14-11(15-10)8-3-5-9(12)6-4-8/h3-7H,1-2H3
InChIKeyVQXDMLJAXCYKJE-UHFFFAOYSA-N
MW283.19 g/mol
LogP4.09
Rot. Bonds2

About 2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole

2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole (PubChem CID 82489508) has the molecular formula C11H11BrN2S and a molecular weight of 283.19 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole
PubChem CID82489508
Molecular FormulaC11H11BrN2S
Molecular Weight283.19 g/mol
Exact Mass281.98
IUPAC Name2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole
SMILESCC(C)c1nnc(-c2ccc(Br)cc2)s1
InChIInChI=1S/C11H11BrN2S/c1-7(2)10-13-14-11(15-10)8-3-5-9(12)6-4-8/h3-7H,1-2H3
InChIKeyVQXDMLJAXCYKJE-UHFFFAOYSA-N
XLogP4.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole (CID 82489508) is 2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole is CC(C)c1nnc(-c2ccc(Br)cc2)s1.
What is the InChIKey of 2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole?
The InChIKey is VQXDMLJAXCYKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S/c1-7(2)10-13-14-11(15-10)8-3-5-9(12)6-4-8/h3-7H,1-2H3.
What are the key properties of 2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole?
2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole has a molecular weight of 283.19 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-propan-2-yl-1,3,4-thiadiazole is sourced from PubChem (CID 82489508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).