1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine

C15H25N3OS — CID 110056760

IUPAC1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine
SMILESCCC/N=C(\NCCc1ccco1)NC1CCCSC1
InChIInChI=1S/C15H25N3OS/c1-2-8-16-15(18-13-5-4-11-20-12-13)17-9-7-14-6-3-10-19-14/h3,6,10,13H,2,4-5,7-9,11-12H2,1H3,(H2,16,17,18)
InChIKeyWRMPLIGJRQKAGV-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.66
Rot. Bonds6

About 1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine

1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine (PubChem CID 110056760) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine
PubChem CID110056760
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine
SMILESCCC/N=C(\NCCc1ccco1)NC1CCCSC1
InChIInChI=1S/C15H25N3OS/c1-2-8-16-15(18-13-5-4-11-20-12-13)17-9-7-14-6-3-10-19-14/h3,6,10,13H,2,4-5,7-9,11-12H2,1H3,(H2,16,17,18)
InChIKeyWRMPLIGJRQKAGV-UHFFFAOYSA-N
XLogP2.66
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.66
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-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)-3-(thian-3-yl)guanidine;hydroiodide
CID 110056729
1-[2-(furan-2-yl)ethyl]-2-(3-morpholin-4-ylpropyl)-3-(thian-3-yl)guanidine;hydroiodide
CID 110056775
1-[2-(furan-2-yl)ethyl]-2-(oxan-2-ylmethyl)-3-(thian-3-yl)guanidine;hydroiodide
CID 110056783
1-cyclopent-3-en-1-yl-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 110059677
1-[2-(furan-2-yl)ethyl]-2-propyl-3-[3-(trifluoromethyl)cyclohexyl]guanidine;hydroiodide
CID 110054153
1-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 110056465
1-(1,1-dioxothiolan-3-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine
CID 111766749
ethyl 4-[[N'-[2-(furan-2-yl)ethyl]-N-(thian-3-yl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 110056772
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[2-(furan-2-yl)ethyl]-2-propylguanidine
CID 110054598
N-[2-(furan-2-yl)ethyl]thian-3-amine
CID 62873615
1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 110991950
1-[2-(furan-2-yl)ethyl]-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-propylguanidine
CID 110054476

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine (CID 110056760) is 1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine is CCC/N=C(\NCCc1ccco1)NC1CCCSC1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine?
The InChIKey is WRMPLIGJRQKAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-2-8-16-15(18-13-5-4-11-20-12-13)17-9-7-14-6-3-10-19-14/h3,6,10,13H,2,4-5,7-9,11-12H2,1H3,(H2,16,17,18).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine?
1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine has a molecular weight of 295.45 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-propyl-3-(thian-3-yl)guanidine is sourced from PubChem (CID 110056760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).