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

C15H19N3S — CID 62368230

IUPAC2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine
SMILESCC(C)C(/N=C(\N)Nc1ccccc1)c1cccs1
InChIInChI=1S/C15H19N3S/c1-11(2)14(13-9-6-10-19-13)18-15(16)17-12-7-4-3-5-8-12/h3-11,14H,1-2H3,(H3,16,17,18)
InChIKeyWVYQXRQRPBLULQ-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.87
Rot. Bonds4

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

2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine (PubChem CID 62368230) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine
PubChem CID62368230
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC Name2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine
SMILESCC(C)C(/N=C(\N)Nc1ccccc1)c1cccs1
InChIInChI=1S/C15H19N3S/c1-11(2)14(13-9-6-10-19-13)18-15(16)17-12-7-4-3-5-8-12/h3-11,14H,1-2H3,(H3,16,17,18)
InChIKeyWVYQXRQRPBLULQ-UHFFFAOYSA-N
XLogP3.87
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.87
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-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine 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

N'-(2-methyl-1-thiophen-2-ylpropyl)ethanimidamide
CID 63173615
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-phenylguanidine
CID 47086547
1-amino-2-(2-methyl-1-thiophen-2-ylpropyl)-3-propan-2-ylguanidine
CID 116514136
N'-(2-methyl-1-thiophen-2-ylpropyl)cyclopentanecarboximidamide
CID 55158432
2-(4-methylpentan-2-yl)-1-phenylguanidine
CID 62362763
1-phenyl-2-(1-phenylpropyl)guanidine
CID 20811726
1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
2-[1-(furan-2-yl)ethyl]-1-phenylguanidine
CID 55064252
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
2-(1-methoxypropan-2-yl)-1-phenylguanidine
CID 62364056
2-amino-N-phenyl-2-thiophen-2-ylacetamide
CID 115285801
(1E)-1-[amino(anilino)methylidene]-2,3-di(propan-2-yl)guanidine
CID 71530093

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine?
The IUPAC name of 2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine (CID 62368230) is 2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine.
What is the SMILES notation for 2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine?
The canonical SMILES for 2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine is CC(C)C(/N=C(\N)Nc1ccccc1)c1cccs1.
What is the InChIKey of 2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine?
The InChIKey is WVYQXRQRPBLULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11(2)14(13-9-6-10-19-13)18-15(16)17-12-7-4-3-5-8-12/h3-11,14H,1-2H3,(H3,16,17,18).
What are the key properties of 2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine?
2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine has a molecular weight of 273.40 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1-thiophen-2-ylpropyl)-1-phenylguanidine is sourced from PubChem (CID 62368230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).