5-bromo-3-N-(thiadiazol-5-ylmethyl)pyridine-2,3-diamine

C8H8BrN5S — CID 138522394

IUPAC5-bromo-3-N-(thiadiazol-5-ylmethyl)pyridine-2,3-diamine
SMILESNc1ncc(Br)cc1NCc1cnns1
InChIInChI=1S/C8H8BrN5S/c9-5-1-7(8(10)12-2-5)11-3-6-4-13-14-15-6/h1-2,4,11H,3H2,(H2,10,12)
InChIKeyNTFATXHRTCUXAL-UHFFFAOYSA-N
MW286.16 g/mol
LogP1.89
Rot. Bonds3

About 5-bromo-3-N-(thiadiazol-5-ylmethyl)pyridine-2,3-diamine

5-bromo-3-N-(thiadiazol-5-ylmethyl)pyridine-2,3-diamine (PubChem CID 138522394) has the molecular formula C8H8BrN5S and a molecular weight of 286.16 g/mol. Its IUPAC name is 5-bromo-3-N-(thiadiazol-5-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-3-N-(thiadiazol-5-ylmethyl)pyridine-2,3-diamine
PubChem CID138522394
Molecular FormulaC8H8BrN5S
Molecular Weight286.16 g/mol
Exact Mass284.97
IUPAC Name5-bromo-3-N-(thiadiazol-5-ylmethyl)pyridine-2,3-diamine
SMILESNc1ncc(Br)cc1NCc1cnns1
InChIInChI=1S/C8H8BrN5S/c9-5-1-7(8(10)12-2-5)11-3-6-4-13-14-15-6/h1-2,4,11H,3H2,(H2,10,12)
InChIKeyNTFATXHRTCUXAL-UHFFFAOYSA-N
XLogP1.89
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-N-(thiadiazol-5-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-3-N-(thiadiazol-5-ylmethyl)pyridine-2,3-diamine (CID 138522394) is 5-bromo-3-N-(thiadiazol-5-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-3-N-(thiadiazol-5-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-3-N-(thiadiazol-5-ylmethyl)pyridine-2,3-diamine is Nc1ncc(Br)cc1NCc1cnns1.
What is the InChIKey of 5-bromo-3-N-(thiadiazol-5-ylmethyl)pyridine-2,3-diamine?
The InChIKey is NTFATXHRTCUXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5S/c9-5-1-7(8(10)12-2-5)11-3-6-4-13-14-15-6/h1-2,4,11H,3H2,(H2,10,12).
What are the key properties of 5-bromo-3-N-(thiadiazol-5-ylmethyl)pyridine-2,3-diamine?
5-bromo-3-N-(thiadiazol-5-ylmethyl)pyridine-2,3-diamine has a molecular weight of 286.16 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-N-(thiadiazol-5-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 138522394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).