2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride

C9H11ClN6S — CID 45265550

IUPAC2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nnc(-c2ccccc2N)s1
InChIInChI=1S/C9H10N6S.ClH/c10-6-4-2-1-3-5(6)7-14-15-9(16-7)13-8(11)12;/h1-4H,10H2,(H4,11,12,13,15);1H
InChIKeySBAJSRMHEVNHDE-UHFFFAOYSA-N
MW270.75 g/mol
LogP1.11
Rot. Bonds2

About 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride

2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride (PubChem CID 45265550) has the molecular formula C9H11ClN6S and a molecular weight of 270.75 g/mol. Its IUPAC name is 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride
PubChem CID45265550
Molecular FormulaC9H11ClN6S
Molecular Weight270.75 g/mol
Exact Mass270.05
IUPAC Name2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nnc(-c2ccccc2N)s1
InChIInChI=1S/C9H10N6S.ClH/c10-6-4-2-1-3-5(6)7-14-15-9(16-7)13-8(11)12;/h1-4H,10H2,(H4,11,12,13,15);1H
InChIKeySBAJSRMHEVNHDE-UHFFFAOYSA-N
XLogP1.11
TPSA116.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride?
The IUPAC name of 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride (CID 45265550) is 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride.
What is the SMILES notation for 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride?
The canonical SMILES for 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride is Cl.NC(N)=Nc1nnc(-c2ccccc2N)s1.
What is the InChIKey of 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride?
The InChIKey is SBAJSRMHEVNHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6S.ClH/c10-6-4-2-1-3-5(6)7-14-15-9(16-7)13-8(11)12;/h1-4H,10H2,(H4,11,12,13,15);1H.
What are the key properties of 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride?
2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride has a molecular weight of 270.75 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride is sourced from PubChem (CID 45265550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).