2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine

C15H20N4S — CID 47086547

IUPAC2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine
SMILESCN(C)C(C/N=C(\N)Nc1ccccc1)c1cccs1
InChIInChI=1S/C15H20N4S/c1-19(2)13(14-9-6-10-20-14)11-17-15(16)18-12-7-4-3-5-8-12/h3-10,13H,11H2,1-2H3,(H3,16,17,18)
InChIKeyJYGBIGIURCKRKZ-UHFFFAOYSA-N
MW288.42 g/mol
LogP2.78
Rot. Bonds5

About 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine

2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine (PubChem CID 47086547) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine
PubChem CID47086547
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine
SMILESCN(C)C(C/N=C(\N)Nc1ccccc1)c1cccs1
InChIInChI=1S/C15H20N4S/c1-19(2)13(14-9-6-10-20-14)11-17-15(16)18-12-7-4-3-5-8-12/h3-10,13H,11H2,1-2H3,(H3,16,17,18)
InChIKeyJYGBIGIURCKRKZ-UHFFFAOYSA-N
XLogP2.78
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-methoxyphenyl)guanidine
CID 111028142
2-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine
CID 52501435
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(dimethylamino)-2-thiophen-2-ylethyl]guanidine
CID 111028222
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine
CID 136924041
2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine
CID 111026174
2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine
CID 62368230
1-(3-methylphenyl)-2-(2-thiophen-2-ylpropyl)guanidine
CID 111816840
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine
CID 78963226
1-(4-methylphenyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111029850
2-[2-[cyclopropyl(methyl)amino]propyl]-1-phenylguanidine
CID 110935375
1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine
CID 111498176

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine?
The IUPAC name of 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine (CID 47086547) is 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine.
What is the SMILES notation for 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine?
The canonical SMILES for 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine is CN(C)C(C/N=C(\N)Nc1ccccc1)c1cccs1.
What is the InChIKey of 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine?
The InChIKey is JYGBIGIURCKRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-19(2)13(14-9-6-10-20-14)11-17-15(16)18-12-7-4-3-5-8-12/h3-10,13H,11H2,1-2H3,(H3,16,17,18).
What are the key properties of 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine?
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine has a molecular weight of 288.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine is sourced from PubChem (CID 47086547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).