5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine

C7H5BrN4S2 — CID 79535681

IUPAC5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine
SMILESNc1cnc(Sc2nncs2)c(Br)c1
InChIInChI=1S/C7H5BrN4S2/c8-5-1-4(9)2-10-6(5)14-7-12-11-3-13-7/h1-3H,9H2
InChIKeyVFMGJARJMJAYEZ-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.43
Rot. Bonds2

About 5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine

5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine (PubChem CID 79535681) has the molecular formula C7H5BrN4S2 and a molecular weight of 289.18 g/mol. Its IUPAC name is 5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine
PubChem CID79535681
Molecular FormulaC7H5BrN4S2
Molecular Weight289.18 g/mol
Exact Mass287.91
IUPAC Name5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine
SMILESNc1cnc(Sc2nncs2)c(Br)c1
InChIInChI=1S/C7H5BrN4S2/c8-5-1-4(9)2-10-6(5)14-7-12-11-3-13-7/h1-3H,9H2
InChIKeyVFMGJARJMJAYEZ-UHFFFAOYSA-N
XLogP2.43
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine?
The IUPAC name of 5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine (CID 79535681) is 5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine is Nc1cnc(Sc2nncs2)c(Br)c1.
What is the InChIKey of 5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine?
The InChIKey is VFMGJARJMJAYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN4S2/c8-5-1-4(9)2-10-6(5)14-7-12-11-3-13-7/h1-3H,9H2.
What are the key properties of 5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine?
5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine has a molecular weight of 289.18 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyridin-3-amine is sourced from PubChem (CID 79535681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).