5-bromo-N-(thiadiazol-4-ylmethyl)pyridin-3-amine

C8H7BrN4S — CID 115908697

IUPAC5-bromo-N-(thiadiazol-4-ylmethyl)pyridin-3-amine
SMILESBrc1cncc(NCc2csnn2)c1
InChIInChI=1S/C8H7BrN4S/c9-6-1-7(3-10-2-6)11-4-8-5-14-13-12-8/h1-3,5,11H,4H2
InChIKeyJBWQZKLACQKAIG-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.31
Rot. Bonds3

About 5-bromo-N-(thiadiazol-4-ylmethyl)pyridin-3-amine

5-bromo-N-(thiadiazol-4-ylmethyl)pyridin-3-amine (PubChem CID 115908697) has the molecular formula C8H7BrN4S and a molecular weight of 271.14 g/mol. Its IUPAC name is 5-bromo-N-(thiadiazol-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(thiadiazol-4-ylmethyl)pyridin-3-amine
PubChem CID115908697
Molecular FormulaC8H7BrN4S
Molecular Weight271.14 g/mol
Exact Mass269.96
IUPAC Name5-bromo-N-(thiadiazol-4-ylmethyl)pyridin-3-amine
SMILESBrc1cncc(NCc2csnn2)c1
InChIInChI=1S/C8H7BrN4S/c9-6-1-7(3-10-2-6)11-4-8-5-14-13-12-8/h1-3,5,11H,4H2
InChIKeyJBWQZKLACQKAIG-UHFFFAOYSA-N
XLogP2.31
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(thiadiazol-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(thiadiazol-4-ylmethyl)pyridin-3-amine (CID 115908697) is 5-bromo-N-(thiadiazol-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(thiadiazol-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(thiadiazol-4-ylmethyl)pyridin-3-amine is Brc1cncc(NCc2csnn2)c1.
What is the InChIKey of 5-bromo-N-(thiadiazol-4-ylmethyl)pyridin-3-amine?
The InChIKey is JBWQZKLACQKAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4S/c9-6-1-7(3-10-2-6)11-4-8-5-14-13-12-8/h1-3,5,11H,4H2.
What are the key properties of 5-bromo-N-(thiadiazol-4-ylmethyl)pyridin-3-amine?
5-bromo-N-(thiadiazol-4-ylmethyl)pyridin-3-amine has a molecular weight of 271.14 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(thiadiazol-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 115908697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).