1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine

C16H21N3S — CID 111758177

IUPAC1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine
SMILESCCc1cccc(N/C(N)=N/CC(C)c2ccsc2)c1
InChIInChI=1S/C16H21N3S/c1-3-13-5-4-6-15(9-13)19-16(17)18-10-12(2)14-7-8-20-11-14/h4-9,11-12H,3,10H2,1-2H3,(H3,17,18,19)
InChIKeyQYXOAOBIWSJSLL-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.84
Rot. Bonds5

About 1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine

1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine (PubChem CID 111758177) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine
PubChem CID111758177
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine
SMILESCCc1cccc(N/C(N)=N/CC(C)c2ccsc2)c1
InChIInChI=1S/C16H21N3S/c1-3-13-5-4-6-15(9-13)19-16(17)18-10-12(2)14-7-8-20-11-14/h4-9,11-12H,3,10H2,1-2H3,(H3,17,18,19)
InChIKeyQYXOAOBIWSJSLL-UHFFFAOYSA-N
XLogP3.84
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.84
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 1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine 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-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758196
1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine
CID 111498176
1-(4-methylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758160
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-thiophen-3-ylpropyl)guanidine
CID 111758157
1-(3-ethylphenyl)-2-[2-(2-methoxyphenyl)propyl]guanidine;hydroiodide
CID 111097654
1-(3-ethylphenyl)-2-(2-methoxy-3,3-dimethylbutyl)guanidine;hydroiodide
CID 111757970
1-(3-ethylphenyl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111442955
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758198
1-(3-ethylphenyl)-2-(thiophen-2-ylmethyl)guanidine
CID 111026478
1-(3-ethylphenyl)-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111026477
1-(3-ethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045961
1-(3-methylphenyl)-2-(thiophen-3-ylmethyl)guanidine
CID 111052104

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine?
The IUPAC name of 1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine (CID 111758177) is 1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine.
What is the SMILES notation for 1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine?
The canonical SMILES for 1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine is CCc1cccc(N/C(N)=N/CC(C)c2ccsc2)c1.
What is the InChIKey of 1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine?
The InChIKey is QYXOAOBIWSJSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-3-13-5-4-6-15(9-13)19-16(17)18-10-12(2)14-7-8-20-11-14/h4-9,11-12H,3,10H2,1-2H3,(H3,17,18,19).
What are the key properties of 1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine?
1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine has a molecular weight of 287.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine is sourced from PubChem (CID 111758177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).