2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine

C15H20ClN3OS — CID 111354200

IUPAC2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ccc(Cl)s1)NCCc1ccco1
InChIInChI=1S/C15H20ClN3OS/c1-2-17-15(18-9-7-12-4-3-11-20-12)19-10-8-13-5-6-14(16)21-13/h3-6,11H,2,7-10H2,1H3,(H2,17,18,19)
InChIKeyJGTDRDOFMBEXFK-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.33
Rot. Bonds7

About 2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine

2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine (PubChem CID 111354200) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
PubChem CID111354200
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC Name2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
SMILESCCN/C(=N\CCc1ccc(Cl)s1)NCCc1ccco1
InChIInChI=1S/C15H20ClN3OS/c1-2-17-15(18-9-7-12-4-3-11-20-12)19-10-8-13-5-6-14(16)21-13/h3-6,11H,2,7-10H2,1H3,(H2,17,18,19)
InChIKeyJGTDRDOFMBEXFK-UHFFFAOYSA-N
XLogP3.33
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.33
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

1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine
CID 111129563
2-butyl-1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111150383
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pent-3-enylguanidine
CID 111587903
2-[2-(2-butoxyethoxy)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111499619
N-[2-[[N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927251
1-ethyl-2-[2-(ethylsulfonylamino)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354201
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-piperidin-1-ylethyl)guanidine
CID 111355676
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111355524
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
CID 110974425
2-(2-tert-butylsulfinylethyl)-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111831066
1-ethyl-2-[2-(furan-2-yl)ethyl]-3-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111353749
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111355622

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine (CID 111354200) is 2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine is CCN/C(=N\CCc1ccc(Cl)s1)NCCc1ccco1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine?
The InChIKey is JGTDRDOFMBEXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3OS/c1-2-17-15(18-9-7-12-4-3-11-20-12)19-10-8-13-5-6-14(16)21-13/h3-6,11H,2,7-10H2,1H3,(H2,17,18,19).
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine?
2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine has a molecular weight of 325.87 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine is sourced from PubChem (CID 111354200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).