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

C16H22FN3OS — CID 110051204

IUPAC2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine
SMILESFCCC/N=C(\NCCc1ccco1)NCCc1cccs1
InChIInChI=1S/C16H22FN3OS/c17-8-3-9-18-16(19-10-6-14-4-1-12-21-14)20-11-7-15-5-2-13-22-15/h1-2,4-5,12-13H,3,6-11H2,(H2,18,19,20)
InChIKeyFXTWBPNBICCANL-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.02
Rot. Bonds9

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

2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine (PubChem CID 110051204) has the molecular formula C16H22FN3OS and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine
PubChem CID110051204
Molecular FormulaC16H22FN3OS
Molecular Weight323.44 g/mol
Exact Mass323.15
IUPAC Name2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine
SMILESFCCC/N=C(\NCCc1ccco1)NCCc1cccs1
InChIInChI=1S/C16H22FN3OS/c17-8-3-9-18-16(19-10-6-14-4-1-12-21-14)20-11-7-15-5-2-13-22-15/h1-2,4-5,12-13H,3,6-11H2,(H2,18,19,20)
InChIKeyFXTWBPNBICCANL-UHFFFAOYSA-N
XLogP3.02
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.02
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'}

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Related Compounds

N-((5-Fluorothiophen-2-yl)methyl)-2-(furan-2-yl)ethanamine
CID 50896528
1-(3-Fluoropropyl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 110051202
2-(3-Fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine
CID 110051940
2-[(3-Fluoro-5-methoxyphenyl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine
CID 110052704
1-[2-(Furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 110054159
1-[2-(Furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 110054160
1-[1-[(4-Fluorophenyl)methyl]piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 110054412
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-[2-(furan-2-yl)ethyl]-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 110056569
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-[2-(furan-2-yl)ethyl]-N'-(thiophen-2-ylmethyl)pyrrolidine-1-carboximidamide
CID 110056570
1-Ethyl-3-[3-(4-fluorophenyl)sulfanylpropyl]-2-(furan-2-ylmethyl)guanidine
CID 110937924
1-[2-(4-Fluorophenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111230061
2-[(4-Fluorophenyl)methyl]-1-[2-(furan-2-yl)ethyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111232581

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine (CID 110051204) is 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine is FCCC/N=C(\NCCc1ccco1)NCCc1cccs1.
What is the InChIKey of 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is FXTWBPNBICCANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3OS/c17-8-3-9-18-16(19-10-6-14-4-1-12-21-14)20-11-7-15-5-2-13-22-15/h1-2,4-5,12-13H,3,6-11H2,(H2,18,19,20).
What are the key properties of 2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine?
2-(3-fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 323.44 g/mol, XLogP of 3.02, 9 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-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 110051204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).