N,3-dipyridin-2-yl-1,2,4-thiadiazol-5-amine

C12H9N5S — CID 155230364

IUPACN,3-dipyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESc1ccc(Nc2nc(-c3ccccn3)ns2)nc1
InChIInChI=1S/C12H9N5S/c1-3-7-13-9(5-1)11-16-12(18-17-11)15-10-6-2-4-8-14-10/h1-8H,(H,14,15,16,17)
InChIKeyOLMJHNLRKYRKPD-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.74
Rot. Bonds3

About N,3-dipyridin-2-yl-1,2,4-thiadiazol-5-amine

N,3-dipyridin-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 155230364) has the molecular formula C12H9N5S and a molecular weight of 255.31 g/mol. Its IUPAC name is N,3-dipyridin-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN,3-dipyridin-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID155230364
Molecular FormulaC12H9N5S
Molecular Weight255.31 g/mol
Exact Mass255.06
IUPAC NameN,3-dipyridin-2-yl-1,2,4-thiadiazol-5-amine
SMILESc1ccc(Nc2nc(-c3ccccn3)ns2)nc1
InChIInChI=1S/C12H9N5S/c1-3-7-13-9(5-1)11-16-12(18-17-11)15-10-6-2-4-8-14-10/h1-8H,(H,14,15,16,17)
InChIKeyOLMJHNLRKYRKPD-UHFFFAOYSA-N
XLogP2.74
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,3-dipyridin-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N,3-dipyridin-2-yl-1,2,4-thiadiazol-5-amine (CID 155230364) is N,3-dipyridin-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N,3-dipyridin-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N,3-dipyridin-2-yl-1,2,4-thiadiazol-5-amine is c1ccc(Nc2nc(-c3ccccn3)ns2)nc1.
What is the InChIKey of N,3-dipyridin-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is OLMJHNLRKYRKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5S/c1-3-7-13-9(5-1)11-16-12(18-17-11)15-10-6-2-4-8-14-10/h1-8H,(H,14,15,16,17).
What are the key properties of N,3-dipyridin-2-yl-1,2,4-thiadiazol-5-amine?
N,3-dipyridin-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 255.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dipyridin-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 155230364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).