1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-morpholin-4-ylethyl)guanidine

C20H30N4O3S — CID 110056904

IUPAC1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-morpholin-4-ylethyl)guanidine
SMILESCC(O)(C/N=C(\NCCc1ccco1)NCCN1CCOCC1)c1cccs1
InChIInChI=1S/C20H30N4O3S/c1-20(25,18-5-3-15-28-18)16-23-19(21-7-6-17-4-2-12-27-17)22-8-9-24-10-13-26-14-11-24/h2-5,12,15,25H,6-11,13-14,16H2,1H3,(H2,21,22,23)
InChIKeyUYDRPAAUEIIFLG-UHFFFAOYSA-N
MW406.55 g/mol
LogP1.66
Rot. Bonds9

About 1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-morpholin-4-ylethyl)guanidine

1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-morpholin-4-ylethyl)guanidine (PubChem CID 110056904) has the molecular formula C20H30N4O3S and a molecular weight of 406.55 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-morpholin-4-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-morpholin-4-ylethyl)guanidine
PubChem CID110056904
Molecular FormulaC20H30N4O3S
Molecular Weight406.55 g/mol
Exact Mass406.20
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-morpholin-4-ylethyl)guanidine
SMILESCC(O)(C/N=C(\NCCc1ccco1)NCCN1CCOCC1)c1cccs1
InChIInChI=1S/C20H30N4O3S/c1-20(25,18-5-3-15-28-18)16-23-19(21-7-6-17-4-2-12-27-17)22-8-9-24-10-13-26-14-11-24/h2-5,12,15,25H,6-11,13-14,16H2,1H3,(H2,21,22,23)
InChIKeyUYDRPAAUEIIFLG-UHFFFAOYSA-N
XLogP1.66
TPSA82.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-(3-Fluoropropyl)-1-[2-(furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 110051204
1-[2-(Furan-2-yl)ethyl]-2-(2-thiophen-2-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111862254
1-[2-(Furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111968920
1-[2-(Furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine
CID 111968921
1-[2-(Furan-2-yl)ethyl]-3-(2-thiophen-2-ylethyl)-2-(5,5,5-trifluoropentyl)guanidine
CID 112440032
4-N-[[5-[2-[(4-amino-7-methyl-1,3,6,7-tetrahydro-1,3,5-triazepin-2-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,4-N,6,7-tetramethyl-6,7-dihydro-3H-1,3,5-triazepine-2,4-diamine
CID 137030811
6-N-[[5-[2-[(4-amino-2-methyl-2,5-dihydro-1H-1,3,5-triazin-6-ylidene)amino]ethyl]thiophen-3-yl]methyl]-2-N-[2-(furan-2-yl)ethyl]-2-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 146588700
1-[2-(Furan-2-yl)ethyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 75421887
1-[2-(furan-2-yl)ethyl]-3-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 97317711
1-[2-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 97317712
3-[2-(Furan-2-yl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 109384438
3-[2-(Furan-2-yl)ethyl]-1-methyl-1-(oxolan-3-ylmethyl)-2-(2-thiophen-2-ylethyl)guanidine
CID 109384439

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-morpholin-4-ylethyl)guanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-morpholin-4-ylethyl)guanidine (CID 110056904) is 1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-morpholin-4-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-morpholin-4-ylethyl)guanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-morpholin-4-ylethyl)guanidine is CC(O)(C/N=C(\NCCc1ccco1)NCCN1CCOCC1)c1cccs1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-morpholin-4-ylethyl)guanidine?
The InChIKey is UYDRPAAUEIIFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3S/c1-20(25,18-5-3-15-28-18)16-23-19(21-7-6-17-4-2-12-27-17)22-8-9-24-10-13-26-14-11-24/h2-5,12,15,25H,6-11,13-14,16H2,1H3,(H2,21,22,23).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-morpholin-4-ylethyl)guanidine?
1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-morpholin-4-ylethyl)guanidine has a molecular weight of 406.55 g/mol, XLogP of 1.66, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-(2-hydroxy-2-thiophen-2-ylpropyl)-3-(2-morpholin-4-ylethyl)guanidine is sourced from PubChem (CID 110056904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).