1-phenyl-2-(2-thiophen-3-ylethyl)guanidine

C13H15N3S — CID 55063925

IUPAC1-phenyl-2-(2-thiophen-3-ylethyl)guanidine
SMILESN/C(=N\CCc1ccsc1)Nc1ccccc1
InChIInChI=1S/C13H15N3S/c14-13(16-12-4-2-1-3-5-12)15-8-6-11-7-9-17-10-11/h1-5,7,9-10H,6,8H2,(H3,14,15,16)
InChIKeyIFXZLHRLCIXKDW-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.72
Rot. Bonds4

About 1-phenyl-2-(2-thiophen-3-ylethyl)guanidine

1-phenyl-2-(2-thiophen-3-ylethyl)guanidine (PubChem CID 55063925) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-phenyl-2-(2-thiophen-3-ylethyl)guanidine.

Molecular Properties

Compound Name1-phenyl-2-(2-thiophen-3-ylethyl)guanidine
PubChem CID55063925
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name1-phenyl-2-(2-thiophen-3-ylethyl)guanidine
SMILESN/C(=N\CCc1ccsc1)Nc1ccccc1
InChIInChI=1S/C13H15N3S/c14-13(16-12-4-2-1-3-5-12)15-8-6-11-7-9-17-10-11/h1-5,7,9-10H,6,8H2,(H3,14,15,16)
InChIKeyIFXZLHRLCIXKDW-UHFFFAOYSA-N
XLogP2.72
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2-thiophen-3-ylethyl)guanidine?
The IUPAC name of 1-phenyl-2-(2-thiophen-3-ylethyl)guanidine (CID 55063925) is 1-phenyl-2-(2-thiophen-3-ylethyl)guanidine.
What is the SMILES notation for 1-phenyl-2-(2-thiophen-3-ylethyl)guanidine?
The canonical SMILES for 1-phenyl-2-(2-thiophen-3-ylethyl)guanidine is N/C(=N\CCc1ccsc1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-2-(2-thiophen-3-ylethyl)guanidine?
The InChIKey is IFXZLHRLCIXKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c14-13(16-12-4-2-1-3-5-12)15-8-6-11-7-9-17-10-11/h1-5,7,9-10H,6,8H2,(H3,14,15,16).
What are the key properties of 1-phenyl-2-(2-thiophen-3-ylethyl)guanidine?
1-phenyl-2-(2-thiophen-3-ylethyl)guanidine has a molecular weight of 245.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(2-thiophen-3-ylethyl)guanidine is sourced from PubChem (CID 55063925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).