ethyl 5-bromothiophene-2-carboximidate;hydrochloride

C7H9BrClNOS — CID 69314131

IUPACethyl 5-bromothiophene-2-carboximidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)c1ccc(Br)s1
InChIInChI=1S/C7H8BrNOS.ClH/c1-2-10-7(9)5-3-4-6(8)11-5;/h3-4,9H,2H2,1H3;1H/b9-7-;
InChIKeyBENIZOPMWUTGNH-VILQZVERSA-N
MW270.58 g/mol
LogP3.29
Rot. Bonds2

About ethyl 5-bromothiophene-2-carboximidate;hydrochloride

ethyl 5-bromothiophene-2-carboximidate;hydrochloride (PubChem CID 69314131) has the molecular formula C7H9BrClNOS and a molecular weight of 270.58 g/mol. Its IUPAC name is ethyl 5-bromothiophene-2-carboximidate;hydrochloride.

Molecular Properties

Compound Nameethyl 5-bromothiophene-2-carboximidate;hydrochloride
PubChem CID69314131
Molecular FormulaC7H9BrClNOS
Molecular Weight270.58 g/mol
Exact Mass268.93
IUPAC Nameethyl 5-bromothiophene-2-carboximidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)c1ccc(Br)s1
InChIInChI=1S/C7H8BrNOS.ClH/c1-2-10-7(9)5-3-4-6(8)11-5;/h3-4,9H,2H2,1H3;1H/b9-7-;
InChIKeyBENIZOPMWUTGNH-VILQZVERSA-N
XLogP3.29
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.58
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 5-bromothiophene-2-carboximidate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-bromothiophene-2-carboximidate;hydrochloride?
The IUPAC name of ethyl 5-bromothiophene-2-carboximidate;hydrochloride (CID 69314131) is ethyl 5-bromothiophene-2-carboximidate;hydrochloride.
What is the SMILES notation for ethyl 5-bromothiophene-2-carboximidate;hydrochloride?
The canonical SMILES for ethyl 5-bromothiophene-2-carboximidate;hydrochloride is Cl.[H]/N=C(\OCC)c1ccc(Br)s1.
What is the InChIKey of ethyl 5-bromothiophene-2-carboximidate;hydrochloride?
The InChIKey is BENIZOPMWUTGNH-VILQZVERSA-N. The full InChI is InChI=1S/C7H8BrNOS.ClH/c1-2-10-7(9)5-3-4-6(8)11-5;/h3-4,9H,2H2,1H3;1H/b9-7-;.
What are the key properties of ethyl 5-bromothiophene-2-carboximidate;hydrochloride?
ethyl 5-bromothiophene-2-carboximidate;hydrochloride has a molecular weight of 270.58 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-bromothiophene-2-carboximidate;hydrochloride is sourced from PubChem (CID 69314131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).