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

C23H37N5O2S — CID 111283453

IUPAC1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
SMILESCCN/C(=N\CC(c1cccs1)N1CCOCC1)NCC(c1ccco1)N(CC)CC
InChIInChI=1S/C23H37N5O2S/c1-4-24-23(25-17-19(27(5-2)6-3)21-9-7-13-30-21)26-18-20(22-10-8-16-31-22)28-11-14-29-15-12-28/h7-10,13,16,19-20H,4-6,11-12,14-15,17-18H2,1-3H3,(H2,24,25,26)
InChIKeyBMLHJUVEHPYQES-UHFFFAOYSA-N
MW447.65 g/mol
LogP3.35
Rot. Bonds11

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

1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine (PubChem CID 111283453) has the molecular formula C23H37N5O2S and a molecular weight of 447.65 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
PubChem CID111283453
Molecular FormulaC23H37N5O2S
Molecular Weight447.65 g/mol
Exact Mass447.27
IUPAC Name1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
SMILESCCN/C(=N\CC(c1cccs1)N1CCOCC1)NCC(c1ccco1)N(CC)CC
InChIInChI=1S/C23H37N5O2S/c1-4-24-23(25-17-19(27(5-2)6-3)21-9-7-13-30-21)26-18-20(22-10-8-16-31-22)28-11-14-29-15-12-28/h7-10,13,16,19-20H,4-6,11-12,14-15,17-18H2,1-3H3,(H2,24,25,26)
InChIKeyBMLHJUVEHPYQES-UHFFFAOYSA-N
XLogP3.35
TPSA65.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.65
LogP ≤ 53.35
H-Bond Donors ≤ 52
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

1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111020744
1-[2-(dimethylamino)-2-phenylethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284200
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111246993
1-[2-(2,6-difluorophenyl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111283481
1-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-sulfamoylethyl)guanidine
CID 111284759
3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111284392
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284536
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111228851
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111283719
methyl 3-[[N-ethyl-N'-(2-morpholin-4-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111284666
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374323
1-ethyl-3-(2-morpholin-4-ylethyl)-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111012147

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine (CID 111283453) is 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine is CCN/C(=N\CC(c1cccs1)N1CCOCC1)NCC(c1ccco1)N(CC)CC.
What is the InChIKey of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
The InChIKey is BMLHJUVEHPYQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O2S/c1-4-24-23(25-17-19(27(5-2)6-3)21-9-7-13-30-21)26-18-20(22-10-8-16-31-22)28-11-14-29-15-12-28/h7-10,13,16,19-20H,4-6,11-12,14-15,17-18H2,1-3H3,(H2,24,25,26).
What are the key properties of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine?
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine has a molecular weight of 447.65 g/mol, XLogP of 3.35, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 111283453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).