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

C7H8ClN5S2 — CID 45263064

IUPAC2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C7H7N5S2.ClH/c8-6(9)10-7-12-11-5(14-7)4-2-1-3-13-4;/h1-3H,(H4,8,9,10,12);1H
InChIKeyHMRVTZGIHWFDLT-UHFFFAOYSA-N
MW261.76 g/mol
LogP1.59
Rot. Bonds2

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

2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride (PubChem CID 45263064) has the molecular formula C7H8ClN5S2 and a molecular weight of 261.76 g/mol. Its IUPAC name is 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride
PubChem CID45263064
Molecular FormulaC7H8ClN5S2
Molecular Weight261.76 g/mol
Exact Mass260.99
IUPAC Name2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nnc(-c2cccs2)s1
InChIInChI=1S/C7H7N5S2.ClH/c8-6(9)10-7-12-11-5(14-7)4-2-1-3-13-4;/h1-3H,(H4,8,9,10,12);1H
InChIKeyHMRVTZGIHWFDLT-UHFFFAOYSA-N
XLogP1.59
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 51.59
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-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride?
The IUPAC name of 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride (CID 45263064) is 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride.
What is the SMILES notation for 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride?
The canonical SMILES for 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride is Cl.NC(N)=Nc1nnc(-c2cccs2)s1.
What is the InChIKey of 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride?
The InChIKey is HMRVTZGIHWFDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S2.ClH/c8-6(9)10-7-12-11-5(14-7)4-2-1-3-13-4;/h1-3H,(H4,8,9,10,12);1H.
What are the key properties of 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride?
2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride has a molecular weight of 261.76 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)guanidine;hydrochloride is sourced from PubChem (CID 45263064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).