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

C15H20FN3OS — CID 110051202

IUPAC1-(3-fluoropropyl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
SMILESFCCCN/C(=N\Cc1cccs1)NCCc1ccco1
InChIInChI=1S/C15H20FN3OS/c16-7-3-8-17-15(19-12-14-5-2-11-21-14)18-9-6-13-4-1-10-20-13/h1-2,4-5,10-11H,3,6-9,12H2,(H2,17,18,19)
InChIKeyQIUKUJPYBAWGEP-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.98
Rot. Bonds8

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

1-(3-fluoropropyl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine (PubChem CID 110051202) has the molecular formula C15H20FN3OS and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
PubChem CID110051202
Molecular FormulaC15H20FN3OS
Molecular Weight309.41 g/mol
Exact Mass309.13
IUPAC Name1-(3-fluoropropyl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
SMILESFCCCN/C(=N\Cc1cccs1)NCCc1ccco1
InChIInChI=1S/C15H20FN3OS/c16-7-3-8-17-15(19-12-14-5-2-11-21-14)18-9-6-13-4-1-10-20-13/h1-2,4-5,10-11H,3,6-9,12H2,(H2,17,18,19)
InChIKeyQIUKUJPYBAWGEP-UHFFFAOYSA-N
XLogP2.98
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.98
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine?
The IUPAC name of 1-(3-fluoropropyl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine (CID 110051202) is 1-(3-fluoropropyl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(3-fluoropropyl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine?
The canonical SMILES for 1-(3-fluoropropyl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine is FCCCN/C(=N\Cc1cccs1)NCCc1ccco1.
What is the InChIKey of 1-(3-fluoropropyl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine?
The InChIKey is QIUKUJPYBAWGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3OS/c16-7-3-8-17-15(19-12-14-5-2-11-21-14)18-9-6-13-4-1-10-20-13/h1-2,4-5,10-11H,3,6-9,12H2,(H2,17,18,19).
What are the key properties of 1-(3-fluoropropyl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine?
1-(3-fluoropropyl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine has a molecular weight of 309.41 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine is sourced from PubChem (CID 110051202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).