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

C13H12ClN5S — CID 45265742

IUPAC2-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nnc(-c2cccc3ccccc23)s1
InChIInChI=1S/C13H11N5S.ClH/c14-12(15)16-13-18-17-11(19-13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H4,14,15,16,18);1H
InChIKeyIMZKXLVAQIDFOE-UHFFFAOYSA-N
MW305.79 g/mol
LogP2.68
Rot. Bonds2

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

2-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride (PubChem CID 45265742) has the molecular formula C13H12ClN5S and a molecular weight of 305.79 g/mol. Its IUPAC name is 2-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride
PubChem CID45265742
Molecular FormulaC13H12ClN5S
Molecular Weight305.79 g/mol
Exact Mass305.05
IUPAC Name2-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nnc(-c2cccc3ccccc23)s1
InChIInChI=1S/C13H11N5S.ClH/c14-12(15)16-13-18-17-11(19-13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H4,14,15,16,18);1H
InChIKeyIMZKXLVAQIDFOE-UHFFFAOYSA-N
XLogP2.68
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride?
The IUPAC name of 2-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride (CID 45265742) is 2-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride.
What is the SMILES notation for 2-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride?
The canonical SMILES for 2-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride is Cl.NC(N)=Nc1nnc(-c2cccc3ccccc23)s1.
What is the InChIKey of 2-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride?
The InChIKey is IMZKXLVAQIDFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5S.ClH/c14-12(15)16-13-18-17-11(19-13)10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H4,14,15,16,18);1H.
What are the key properties of 2-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride?
2-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride has a molecular weight of 305.79 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-naphthalen-1-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride is sourced from PubChem (CID 45265742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).