5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole

C6H3BrN4S — CID 130900532

IUPAC5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole
SMILESBrc1nc(-c2cncnc2)ns1
InChIInChI=1S/C6H3BrN4S/c7-6-10-5(11-12-6)4-1-8-3-9-2-4/h1-3H
InChIKeyLJAPHNINAIKANK-UHFFFAOYSA-N
MW243.09 g/mol
LogP1.76
Rot. Bonds1

About 5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole

5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole (PubChem CID 130900532) has the molecular formula C6H3BrN4S and a molecular weight of 243.09 g/mol. Its IUPAC name is 5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole
PubChem CID130900532
Molecular FormulaC6H3BrN4S
Molecular Weight243.09 g/mol
Exact Mass241.93
IUPAC Name5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole
SMILESBrc1nc(-c2cncnc2)ns1
InChIInChI=1S/C6H3BrN4S/c7-6-10-5(11-12-6)4-1-8-3-9-2-4/h1-3H
InChIKeyLJAPHNINAIKANK-UHFFFAOYSA-N
XLogP1.76
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole?
The IUPAC name of 5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole (CID 130900532) is 5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole is Brc1nc(-c2cncnc2)ns1.
What is the InChIKey of 5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole?
The InChIKey is LJAPHNINAIKANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN4S/c7-6-10-5(11-12-6)4-1-8-3-9-2-4/h1-3H.
What are the key properties of 5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole?
5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole has a molecular weight of 243.09 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-pyrimidin-5-yl-1,2,4-thiadiazole is sourced from PubChem (CID 130900532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).