1-[2-(furan-2-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)cyclohexyl]-2-(thiophen-2-ylmethyl)guanidine

C24H36N4OS — CID 110060808

IUPAC1-[2-(furan-2-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)cyclohexyl]-2-(thiophen-2-ylmethyl)guanidine
SMILESCC1CCN(C2CCC(N/C(=N/Cc3cccs3)NCCc3ccco3)CC2)CC1
InChIInChI=1S/C24H36N4OS/c1-19-11-14-28(15-12-19)21-8-6-20(7-9-21)27-24(26-18-23-5-3-17-30-23)25-13-10-22-4-2-16-29-22/h2-5,16-17,19-21H,6-15,18H2,1H3,(H2,25,26,27)
InChIKeyLTDFMPRLSASAHL-UHFFFAOYSA-N
MW428.65 g/mol
LogP4.66
Rot. Bonds7

About 1-[2-(furan-2-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)cyclohexyl]-2-(thiophen-2-ylmethyl)guanidine

1-[2-(furan-2-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)cyclohexyl]-2-(thiophen-2-ylmethyl)guanidine (PubChem CID 110060808) has the molecular formula C24H36N4OS and a molecular weight of 428.65 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)cyclohexyl]-2-(thiophen-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)cyclohexyl]-2-(thiophen-2-ylmethyl)guanidine
PubChem CID110060808
Molecular FormulaC24H36N4OS
Molecular Weight428.65 g/mol
Exact Mass428.26
IUPAC Name1-[2-(furan-2-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)cyclohexyl]-2-(thiophen-2-ylmethyl)guanidine
SMILESCC1CCN(C2CCC(N/C(=N/Cc3cccs3)NCCc3ccco3)CC2)CC1
InChIInChI=1S/C24H36N4OS/c1-19-11-14-28(15-12-19)21-8-6-20(7-9-21)27-24(26-18-23-5-3-17-30-23)25-13-10-22-4-2-16-29-22/h2-5,16-17,19-21H,6-15,18H2,1H3,(H2,25,26,27)
InChIKeyLTDFMPRLSASAHL-UHFFFAOYSA-N
XLogP4.66
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.65
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 110056472
1-[2-(furan-2-yl)ethyl]-3-[1-(2-hydroxycyclohexyl)piperidin-4-yl]-2-(thiophen-2-ylmethyl)guanidine
CID 110060310
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110958702
1-[2-(furan-2-yl)ethyl]-3-[1-(3-methoxypropyl)piperidin-4-yl]-2-(thiophen-2-ylmethyl)guanidine
CID 110055510
2-[2-(furan-2-yl)ethyl]-1-[4-(4-methylpiperidin-1-yl)cyclohexyl]-3-prop-2-enylguanidine
CID 136727214
tert-butyl 3-[[N-[2-(furan-2-yl)ethyl]-N'-(thiophen-2-ylmethyl)carbamimidoyl]amino]pyrrolidine-1-carboxylate
CID 111908395
1-[2-(furan-2-yl)ethyl]-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-(thiophen-2-ylmethyl)guanidine
CID 110054448
1-[2-(furan-2-yl)ethyl]-3-(3-methylsulfanylcyclohexyl)-2-(thiophen-2-ylmethyl)guanidine
CID 110056178
1-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 110056465
1-[2-(furan-2-yl)ethyl]-3-(1-pyridin-2-ylpyrrolidin-3-yl)-2-(thiophen-2-ylmethyl)guanidine
CID 110060938
1-(1-cyclohexylpiperidin-4-yl)-3-[2-(furan-2-yl)ethyl]-2-(2-methylpropyl)guanidine
CID 110056458
1-[2-(furan-2-yl)ethyl]-3-(1-phenylpiperidin-4-yl)-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110055171

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)cyclohexyl]-2-(thiophen-2-ylmethyl)guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)cyclohexyl]-2-(thiophen-2-ylmethyl)guanidine (CID 110060808) is 1-[2-(furan-2-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)cyclohexyl]-2-(thiophen-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)cyclohexyl]-2-(thiophen-2-ylmethyl)guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)cyclohexyl]-2-(thiophen-2-ylmethyl)guanidine is CC1CCN(C2CCC(N/C(=N/Cc3cccs3)NCCc3ccco3)CC2)CC1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)cyclohexyl]-2-(thiophen-2-ylmethyl)guanidine?
The InChIKey is LTDFMPRLSASAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4OS/c1-19-11-14-28(15-12-19)21-8-6-20(7-9-21)27-24(26-18-23-5-3-17-30-23)25-13-10-22-4-2-16-29-22/h2-5,16-17,19-21H,6-15,18H2,1H3,(H2,25,26,27).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)cyclohexyl]-2-(thiophen-2-ylmethyl)guanidine?
1-[2-(furan-2-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)cyclohexyl]-2-(thiophen-2-ylmethyl)guanidine has a molecular weight of 428.65 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-3-[4-(4-methylpiperidin-1-yl)cyclohexyl]-2-(thiophen-2-ylmethyl)guanidine is sourced from PubChem (CID 110060808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).