2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine

C15H19N3S — CID 78963226

IUPAC2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine
SMILESCC(C)(C/N=C(\N)Nc1ccccc1)c1cccs1
InChIInChI=1S/C15H19N3S/c1-15(2,13-9-6-10-19-13)11-17-14(16)18-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H3,16,17,18)
InChIKeyWGJBNLFGIXPBIA-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.45
Rot. Bonds4

About 2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine

2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine (PubChem CID 78963226) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine
PubChem CID78963226
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine
SMILESCC(C)(C/N=C(\N)Nc1ccccc1)c1cccs1
InChIInChI=1S/C15H19N3S/c1-15(2,13-9-6-10-19-13)11-17-14(16)18-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H3,16,17,18)
InChIKeyWGJBNLFGIXPBIA-UHFFFAOYSA-N
XLogP3.45
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.45
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'}

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Related Compounds

2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-phenylguanidine;hydroiodide
CID 111444563
1-(4-ethylphenyl)-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111823834
1-cyclopentyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 78963230
1-butyl-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111582730
2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111823844
2-(2-methyl-2-methylsulfanylpropyl)-1-phenylguanidine
CID 111478633
2-(2-methoxy-2-methylpropyl)-1-phenylguanidine
CID 111465545
1-phenyl-2-(2,2,3-trimethylbutyl)guanidine
CID 105412944
2-(2-hydroxy-2-thiophen-2-ylpropyl)-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111823846
1-tert-butyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111823896
2-(4-hydroxy-2,2-dimethylbutyl)-1-phenylguanidine;hydroiodide
CID 111478598
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine
CID 47086547

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine?
The IUPAC name of 2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine (CID 78963226) is 2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine.
What is the SMILES notation for 2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine?
The canonical SMILES for 2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine is CC(C)(C/N=C(\N)Nc1ccccc1)c1cccs1.
What is the InChIKey of 2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine?
The InChIKey is WGJBNLFGIXPBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-15(2,13-9-6-10-19-13)11-17-14(16)18-12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H3,16,17,18).
What are the key properties of 2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine?
2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine has a molecular weight of 273.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2-thiophen-2-ylpropyl)-1-phenylguanidine is sourced from PubChem (CID 78963226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).