2-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride

C8H9ClN6S — CID 45265726

IUPAC2-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C8H8N6S.ClH/c9-7(10)12-8-14-13-6(15-8)5-3-1-2-4-11-5;/h1-4H,(H4,9,10,12,14);1H
InChIKeyRAIWEEFKUKZPND-UHFFFAOYSA-N
MW256.72 g/mol
LogP0.93
Rot. Bonds2

About 2-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride

2-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride (PubChem CID 45265726) has the molecular formula C8H9ClN6S and a molecular weight of 256.72 g/mol. Its IUPAC name is 2-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride
PubChem CID45265726
Molecular FormulaC8H9ClN6S
Molecular Weight256.72 g/mol
Exact Mass256.03
IUPAC Name2-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nnc(-c2ccccn2)s1
InChIInChI=1S/C8H8N6S.ClH/c9-7(10)12-8-14-13-6(15-8)5-3-1-2-4-11-5;/h1-4H,(H4,9,10,12,14);1H
InChIKeyRAIWEEFKUKZPND-UHFFFAOYSA-N
XLogP0.93
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.72
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride?
The IUPAC name of 2-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride (CID 45265726) is 2-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride.
What is the SMILES notation for 2-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride?
The canonical SMILES for 2-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride is Cl.NC(N)=Nc1nnc(-c2ccccn2)s1.
What is the InChIKey of 2-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride?
The InChIKey is RAIWEEFKUKZPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6S.ClH/c9-7(10)12-8-14-13-6(15-8)5-3-1-2-4-11-5;/h1-4H,(H4,9,10,12,14);1H.
What are the key properties of 2-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride?
2-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride has a molecular weight of 256.72 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride is sourced from PubChem (CID 45265726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).