[5-(5-bromopyrimidin-4-yl)-1,3,4-thiadiazol-2-yl]methanamine

C7H6BrN5S — CID 130565387

IUPAC[5-(5-bromopyrimidin-4-yl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2ncncc2Br)s1
InChIInChI=1S/C7H6BrN5S/c8-4-2-10-3-11-6(4)7-13-12-5(1-9)14-7/h2-3H,1,9H2
InChIKeyBGARZUUEVCFRRV-UHFFFAOYSA-N
MW272.13 g/mol
LogP1.22
Rot. Bonds2

About [5-(5-bromopyrimidin-4-yl)-1,3,4-thiadiazol-2-yl]methanamine

[5-(5-bromopyrimidin-4-yl)-1,3,4-thiadiazol-2-yl]methanamine (PubChem CID 130565387) has the molecular formula C7H6BrN5S and a molecular weight of 272.13 g/mol. Its IUPAC name is [5-(5-bromopyrimidin-4-yl)-1,3,4-thiadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-bromopyrimidin-4-yl)-1,3,4-thiadiazol-2-yl]methanamine
PubChem CID130565387
Molecular FormulaC7H6BrN5S
Molecular Weight272.13 g/mol
Exact Mass270.95
IUPAC Name[5-(5-bromopyrimidin-4-yl)-1,3,4-thiadiazol-2-yl]methanamine
SMILESNCc1nnc(-c2ncncc2Br)s1
InChIInChI=1S/C7H6BrN5S/c8-4-2-10-3-11-6(4)7-13-12-5(1-9)14-7/h2-3H,1,9H2
InChIKeyBGARZUUEVCFRRV-UHFFFAOYSA-N
XLogP1.22
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 51.22
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)-1,3,4-thiadiazol-2-yl]methanamine?
The IUPAC name of [5-(5-bromopyrimidin-4-yl)-1,3,4-thiadiazol-2-yl]methanamine (CID 130565387) is [5-(5-bromopyrimidin-4-yl)-1,3,4-thiadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(5-bromopyrimidin-4-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The canonical SMILES for [5-(5-bromopyrimidin-4-yl)-1,3,4-thiadiazol-2-yl]methanamine is NCc1nnc(-c2ncncc2Br)s1.
What is the InChIKey of [5-(5-bromopyrimidin-4-yl)-1,3,4-thiadiazol-2-yl]methanamine?
The InChIKey is BGARZUUEVCFRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN5S/c8-4-2-10-3-11-6(4)7-13-12-5(1-9)14-7/h2-3H,1,9H2.
What are the key properties of [5-(5-bromopyrimidin-4-yl)-1,3,4-thiadiazol-2-yl]methanamine?
[5-(5-bromopyrimidin-4-yl)-1,3,4-thiadiazol-2-yl]methanamine has a molecular weight of 272.13 g/mol, XLogP of 1.22, 2 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)-1,3,4-thiadiazol-2-yl]methanamine is sourced from PubChem (CID 130565387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).