2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine

C19H27N5O2S — CID 111837621

IUPAC2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine
SMILESC/N=C(\NCCOc1cccnc1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C19H27N5O2S/c1-20-19(22-7-10-26-16-4-2-6-21-14-16)23-15-17(18-5-3-13-27-18)24-8-11-25-12-9-24/h2-6,13-14,17H,7-12,15H2,1H3,(H2,20,22,23)
InChIKeyYEKIKXYLAXNMRO-UHFFFAOYSA-N
MW389.53 g/mol
LogP1.76
Rot. Bonds8

About 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine

2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine (PubChem CID 111837621) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine
PubChem CID111837621
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine
SMILESC/N=C(\NCCOc1cccnc1)NCC(c1cccs1)N1CCOCC1
InChIInChI=1S/C19H27N5O2S/c1-20-19(22-7-10-26-16-4-2-6-21-14-16)23-15-17(18-5-3-13-27-18)24-8-11-25-12-9-24/h2-6,13-14,17H,7-12,15H2,1H3,(H2,20,22,23)
InChIKeyYEKIKXYLAXNMRO-UHFFFAOYSA-N
XLogP1.76
TPSA71.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111837879
1-[2-(3-chlorophenoxy)ethyl]-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284492
1-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111837902
1-(2-butoxyethyl)-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284104
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111283598
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyrazol-1-ylethyl)guanidine
CID 111283875
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 111778587
2-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111284859
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111283614
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111795328
2-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111284883
1-benzyl-2-methyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 110953884

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine?
The IUPAC name of 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine (CID 111837621) is 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine.
What is the SMILES notation for 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine?
The canonical SMILES for 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine is C/N=C(\NCCOc1cccnc1)NCC(c1cccs1)N1CCOCC1.
What is the InChIKey of 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine?
The InChIKey is YEKIKXYLAXNMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-20-19(22-7-10-26-16-4-2-6-21-14-16)23-15-17(18-5-3-13-27-18)24-8-11-25-12-9-24/h2-6,13-14,17H,7-12,15H2,1H3,(H2,20,22,23).
What are the key properties of 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine?
2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine has a molecular weight of 389.53 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine is sourced from PubChem (CID 111837621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).