5-(5-bromopyrimidin-4-yl)-1,2,4-thiadiazol-3-amine

C6H4BrN5S — CID 130565382

IUPAC5-(5-bromopyrimidin-4-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(-c2ncncc2Br)n1
InChIInChI=1S/C6H4BrN5S/c7-3-1-9-2-10-4(3)5-11-6(8)12-13-5/h1-2H,(H2,8,12)
InChIKeyIDRNXWBHEPRHGP-UHFFFAOYSA-N
MW258.10 g/mol
LogP1.34
Rot. Bonds1

About 5-(5-bromopyrimidin-4-yl)-1,2,4-thiadiazol-3-amine

5-(5-bromopyrimidin-4-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 130565382) has the molecular formula C6H4BrN5S and a molecular weight of 258.10 g/mol. Its IUPAC name is 5-(5-bromopyrimidin-4-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(5-bromopyrimidin-4-yl)-1,2,4-thiadiazol-3-amine
PubChem CID130565382
Molecular FormulaC6H4BrN5S
Molecular Weight258.10 g/mol
Exact Mass256.94
IUPAC Name5-(5-bromopyrimidin-4-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(-c2ncncc2Br)n1
InChIInChI=1S/C6H4BrN5S/c7-3-1-9-2-10-4(3)5-11-6(8)12-13-5/h1-2H,(H2,8,12)
InChIKeyIDRNXWBHEPRHGP-UHFFFAOYSA-N
XLogP1.34
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromopyrimidin-4-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(5-bromopyrimidin-4-yl)-1,2,4-thiadiazol-3-amine (CID 130565382) is 5-(5-bromopyrimidin-4-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(5-bromopyrimidin-4-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(5-bromopyrimidin-4-yl)-1,2,4-thiadiazol-3-amine is Nc1nsc(-c2ncncc2Br)n1.
What is the InChIKey of 5-(5-bromopyrimidin-4-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is IDRNXWBHEPRHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN5S/c7-3-1-9-2-10-4(3)5-11-6(8)12-13-5/h1-2H,(H2,8,12).
What are the key properties of 5-(5-bromopyrimidin-4-yl)-1,2,4-thiadiazol-3-amine?
5-(5-bromopyrimidin-4-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 258.10 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromopyrimidin-4-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 130565382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).