2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine

C18H24FN3OS — CID 110051940

IUPAC2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine
SMILESFCCC/N=C(/NCCSc1ccccc1)NCCc1ccco1
InChIInChI=1S/C18H24FN3OS/c19-10-5-11-20-18(21-12-9-16-6-4-14-23-16)22-13-15-24-17-7-2-1-3-8-17/h1-4,6-8,14H,5,9-13,15H2,(H2,20,21,22)
InChIKeyXUKWIJQCHFXOOZ-UHFFFAOYSA-N
MW349.47 g/mol
LogP3.51
Rot. Bonds10

About 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine

2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine (PubChem CID 110051940) has the molecular formula C18H24FN3OS and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine.

Molecular Properties

Compound Name2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine
PubChem CID110051940
Molecular FormulaC18H24FN3OS
Molecular Weight349.47 g/mol
Exact Mass349.16
IUPAC Name2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine
SMILESFCCC/N=C(/NCCSc1ccccc1)NCCc1ccco1
InChIInChI=1S/C18H24FN3OS/c19-10-5-11-20-18(21-12-9-16-6-4-14-23-16)22-13-15-24-17-7-2-1-3-8-17/h1-4,6-8,14H,5,9-13,15H2,(H2,20,21,22)
InChIKeyXUKWIJQCHFXOOZ-UHFFFAOYSA-N
XLogP3.51
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine?
The IUPAC name of 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine (CID 110051940) is 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine.
What is the SMILES notation for 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine?
The canonical SMILES for 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine is FCCC/N=C(/NCCSc1ccccc1)NCCc1ccco1.
What is the InChIKey of 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine?
The InChIKey is XUKWIJQCHFXOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3OS/c19-10-5-11-20-18(21-12-9-16-6-4-14-23-16)22-13-15-24-17-7-2-1-3-8-17/h1-4,6-8,14H,5,9-13,15H2,(H2,20,21,22).
What are the key properties of 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine?
2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine has a molecular weight of 349.47 g/mol, XLogP of 3.51, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine is sourced from PubChem (CID 110051940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).