2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide

C10H12BrN3S — CID 166213854

IUPAC2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide
SMILESBr.NC(N)=NCc1ccc2sccc2c1
InChIInChI=1S/C10H11N3S.BrH/c11-10(12)13-6-7-1-2-9-8(5-7)3-4-14-9;/h1-5H,6H2,(H4,11,12,13);1H
InChIKeyNDSWHRKTYAFUMC-UHFFFAOYSA-N
MW286.20 g/mol
LogP2.25
Rot. Bonds2

About 2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide

2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide (PubChem CID 166213854) has the molecular formula C10H12BrN3S and a molecular weight of 286.20 g/mol. Its IUPAC name is 2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide.

Molecular Properties

Compound Name2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide
PubChem CID166213854
Molecular FormulaC10H12BrN3S
Molecular Weight286.20 g/mol
Exact Mass284.99
IUPAC Name2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide
SMILESBr.NC(N)=NCc1ccc2sccc2c1
InChIInChI=1S/C10H11N3S.BrH/c11-10(12)13-6-7-1-2-9-8(5-7)3-4-14-9;/h1-5H,6H2,(H4,11,12,13);1H
InChIKeyNDSWHRKTYAFUMC-UHFFFAOYSA-N
XLogP2.25
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-benzothiophen-5-yl)-2-methylpropan-2-amine
CID 124505719
2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide
CID 110884528
1-benzothiophen-5-ylmethanesulfonyl chloride
CID 11322580
dihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine
CID 6331948
2-[(3-chlorophenyl)methyl]guanidine;hydroiodide
CID 167747614
5-(ethoxymethyl)-1-benzothiophene
CID 102099380
2-[(1-methylindazol-6-yl)methyl]guanidine;hydrobromide
CID 154861967
N,N'-diamino-3-[4-(1-benzothiophen-5-ylmethoxy)phenyl]propanimidamide
CID 145384761
2-(1-benzothiophen-5-yl)-2-oxoacetamide
CID 144811555
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573
methyl N'-(1-benzothiophen-5-yl)carbamimidothioate
CID 76849240
2-[6-[(diaminomethylideneamino)methyl]naphthalen-2-yl]oxyethyl thiohypofluorite
CID 138502735

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide?
The IUPAC name of 2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide (CID 166213854) is 2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide.
What is the SMILES notation for 2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide?
The canonical SMILES for 2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide is Br.NC(N)=NCc1ccc2sccc2c1.
What is the InChIKey of 2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide?
The InChIKey is NDSWHRKTYAFUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S.BrH/c11-10(12)13-6-7-1-2-9-8(5-7)3-4-14-9;/h1-5H,6H2,(H4,11,12,13);1H.
What are the key properties of 2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide?
2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide has a molecular weight of 286.20 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-5-ylmethyl)guanidine;hydrobromide is sourced from PubChem (CID 166213854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).