1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine

C23H35N5O2S — CID 111531345

IUPAC1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(OCCN2CCOCC2)c1)NCCc1ncc(CC)s1
InChIInChI=1S/C23H35N5O2S/c1-3-21-18-26-22(31-21)8-9-25-23(24-4-2)27-17-19-6-5-7-20(16-19)30-15-12-28-10-13-29-14-11-28/h5-7,16,18H,3-4,8-15,17H2,1-2H3,(H2,24,25,27)
InChIKeyNFZKTTBLJIFLKW-UHFFFAOYSA-N
MW445.63 g/mol
LogP2.71
Rot. Bonds11

About 1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine

1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine (PubChem CID 111531345) has the molecular formula C23H35N5O2S and a molecular weight of 445.63 g/mol. Its IUPAC name is 1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
PubChem CID111531345
Molecular FormulaC23H35N5O2S
Molecular Weight445.63 g/mol
Exact Mass445.25
IUPAC Name1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
SMILESCCN/C(=N\Cc1cccc(OCCN2CCOCC2)c1)NCCc1ncc(CC)s1
InChIInChI=1S/C23H35N5O2S/c1-3-21-18-26-22(31-21)8-9-25-23(24-4-2)27-17-19-6-5-7-20(16-19)30-15-12-28-10-13-29-14-11-28/h5-7,16,18H,3-4,8-15,17H2,1-2H3,(H2,24,25,27)
InChIKeyNFZKTTBLJIFLKW-UHFFFAOYSA-N
XLogP2.71
TPSA71.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 52.71
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-ethyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415496
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111361577
1-ethyl-3-(3-methoxypropyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 110973908
1-ethyl-3-(2-methylpropyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111180353
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[3-[2-[2-methoxyethyl(methyl)amino]ethoxy]phenyl]methyl]guanidine;hydroiodide
CID 111533452
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111532176
1-ethyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111905656
1-cyclopropyl-3-ethyl-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 75535412
1-ethyl-2-[(3-methylphenyl)methyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111900717
1-ethyl-3-(2-methoxy-2-methylpropyl)-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine
CID 111607303
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-(4-morpholin-4-ylbutyl)guanidine
CID 111533277
2-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 111532301

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine (CID 111531345) is 1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine is CCN/C(=N\Cc1cccc(OCCN2CCOCC2)c1)NCCc1ncc(CC)s1.
What is the InChIKey of 1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine?
The InChIKey is NFZKTTBLJIFLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2S/c1-3-21-18-26-22(31-21)8-9-25-23(24-4-2)27-17-19-6-5-7-20(16-19)30-15-12-28-10-13-29-14-11-28/h5-7,16,18H,3-4,8-15,17H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine?
1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine has a molecular weight of 445.63 g/mol, XLogP of 2.71, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine is sourced from PubChem (CID 111531345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).