1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine

C21H32N4O2S — CID 110051898

IUPAC1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine
SMILESCCCN/C(=N\CC(c1ccc(C)s1)N1CCOCC1)NCCc1ccco1
InChIInChI=1S/C21H32N4O2S/c1-3-9-22-21(23-10-8-18-5-4-13-27-18)24-16-19(20-7-6-17(2)28-20)25-11-14-26-15-12-25/h4-7,13,19H,3,8-12,14-16H2,1-2H3,(H2,22,23,24)
InChIKeyLPQQAHJFVBKFQO-UHFFFAOYSA-N
MW404.58 g/mol
LogP3.21
Rot. Bonds9

About 1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine

1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine (PubChem CID 110051898) has the molecular formula C21H32N4O2S and a molecular weight of 404.58 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine.

Molecular Properties

Compound Name1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine
PubChem CID110051898
Molecular FormulaC21H32N4O2S
Molecular Weight404.58 g/mol
Exact Mass404.22
IUPAC Name1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine
SMILESCCCN/C(=N\CC(c1ccc(C)s1)N1CCOCC1)NCCc1ccco1
InChIInChI=1S/C21H32N4O2S/c1-3-9-22-21(23-10-8-18-5-4-13-27-18)24-16-19(20-7-6-17(2)28-20)25-11-14-26-15-12-25/h4-7,13,19H,3,8-12,14-16H2,1-2H3,(H2,22,23,24)
InChIKeyLPQQAHJFVBKFQO-UHFFFAOYSA-N
XLogP3.21
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111966077
1-[2-(furan-2-yl)ethyl]-3-propyl-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111762572
2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-1-propylguanidine;hydroiodide
CID 111721916
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111966324
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111356299
1-ethyl-3-[3-(2-methylpropoxy)propyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111966480
1-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111541823
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111542106
2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)guanidine
CID 111542132
1-cyclohexyl-3-ethyl-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111965913
1-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylprop-2-enyl)guanidine
CID 136922967
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021801

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine?
The IUPAC name of 1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine (CID 110051898) is 1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine.
What is the SMILES notation for 1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine?
The canonical SMILES for 1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine is CCCN/C(=N\CC(c1ccc(C)s1)N1CCOCC1)NCCc1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine?
The InChIKey is LPQQAHJFVBKFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2S/c1-3-9-22-21(23-10-8-18-5-4-13-27-18)24-16-19(20-7-6-17(2)28-20)25-11-14-26-15-12-25/h4-7,13,19H,3,8-12,14-16H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine?
1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine has a molecular weight of 404.58 g/mol, XLogP of 3.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)ethyl]-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]-3-propylguanidine is sourced from PubChem (CID 110051898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).