2-bromo-5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-thiadiazole

C5H3Br2N5S — CID 106463658

IUPAC2-bromo-5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-thiadiazole
SMILESCn1nnc(Br)c1-c1nnc(Br)s1
InChIInChI=1S/C5H3Br2N5S/c1-12-2(3(6)8-11-12)4-9-10-5(7)13-4/h1H3
InChIKeyXAXZUCGIHVYJFE-UHFFFAOYSA-N
MW324.99 g/mol
LogP1.86
Rot. Bonds1

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

2-bromo-5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-thiadiazole (PubChem CID 106463658) has the molecular formula C5H3Br2N5S and a molecular weight of 324.99 g/mol. Its IUPAC name is 2-bromo-5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-thiadiazole
PubChem CID106463658
Molecular FormulaC5H3Br2N5S
Molecular Weight324.99 g/mol
Exact Mass322.85
IUPAC Name2-bromo-5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-thiadiazole
SMILESCn1nnc(Br)c1-c1nnc(Br)s1
InChIInChI=1S/C5H3Br2N5S/c1-12-2(3(6)8-11-12)4-9-10-5(7)13-4/h1H3
InChIKeyXAXZUCGIHVYJFE-UHFFFAOYSA-N
XLogP1.86
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.99
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-thiadiazole (CID 106463658) is 2-bromo-5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-thiadiazole is Cn1nnc(Br)c1-c1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-thiadiazole?
The InChIKey is XAXZUCGIHVYJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br2N5S/c1-12-2(3(6)8-11-12)4-9-10-5(7)13-4/h1H3.
What are the key properties of 2-bromo-5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-thiadiazole?
2-bromo-5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-thiadiazole has a molecular weight of 324.99 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5-bromo-3-methyltriazol-4-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 106463658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).