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

C14H17N3S — CID 111498176

IUPAC1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine
SMILESCC(C/N=C(\N)Nc1ccccc1)c1ccsc1
InChIInChI=1S/C14H17N3S/c1-11(12-7-8-18-10-12)9-16-14(15)17-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H3,15,16,17)
InChIKeyVGCQZJVMRCBBNF-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.28
Rot. Bonds4

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

1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine (PubChem CID 111498176) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine.

Molecular Properties

Compound Name1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine
PubChem CID111498176
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine
SMILESCC(C/N=C(\N)Nc1ccccc1)c1ccsc1
InChIInChI=1S/C14H17N3S/c1-11(12-7-8-18-10-12)9-16-14(15)17-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H3,15,16,17)
InChIKeyVGCQZJVMRCBBNF-UHFFFAOYSA-N
XLogP3.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.28
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

1-(4-methylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758160
1-(3-propan-2-ylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758196
1-(3-ethylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine
CID 111758177
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-thiophen-3-ylpropyl)guanidine
CID 111758157
2-[2-(3-methylphenyl)propyl]-1-phenylguanidine
CID 111459323
1-phenyl-2-(2-thiophen-3-ylethyl)guanidine
CID 55063925
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758198
2-(2,2-diphenylethyl)-1-phenylguanidine
CID 110924821
1-(2-pyridin-2-ylethyl)-2-(2-thiophen-3-ylpropyl)guanidine
CID 111704436
2-(4-hydroxy-2-methylpentyl)-1-phenylguanidine;hydroiodide
CID 111456432
2-(2-methoxy-2-phenylethyl)-1-phenylguanidine
CID 110918046
2-(2-phenoxypropyl)-1-phenylguanidine
CID 111179320

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine?
The IUPAC name of 1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine (CID 111498176) is 1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine.
What is the SMILES notation for 1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine?
The canonical SMILES for 1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine is CC(C/N=C(\N)Nc1ccccc1)c1ccsc1.
What is the InChIKey of 1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine?
The InChIKey is VGCQZJVMRCBBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-11(12-7-8-18-10-12)9-16-14(15)17-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H3,15,16,17).
What are the key properties of 1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine?
1-phenyl-2-(2-thiophen-3-ylpropyl)guanidine has a molecular weight of 259.38 g/mol, XLogP of 3.28, 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-ylpropyl)guanidine is sourced from PubChem (CID 111498176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).