2-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine

C18H26ClN5O2S — CID 109454700

IUPAC2-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
SMILESCCN/C(=N\CCOc1ncccc1Cl)N(C)Cc1csc(C(C)OC)n1
InChIInChI=1S/C18H26ClN5O2S/c1-5-20-18(22-9-10-26-16-15(19)7-6-8-21-16)24(3)11-14-12-27-17(23-14)13(2)25-4/h6-8,12-13H,5,9-11H2,1-4H3,(H,20,22)
InChIKeyDWDLFMRMUPCNFI-UHFFFAOYSA-N
MW411.96 g/mol
LogP3.38
Rot. Bonds9

About 2-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine

2-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine (PubChem CID 109454700) has the molecular formula C18H26ClN5O2S and a molecular weight of 411.96 g/mol. Its IUPAC name is 2-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine.

Molecular Properties

Compound Name2-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
PubChem CID109454700
Molecular FormulaC18H26ClN5O2S
Molecular Weight411.96 g/mol
Exact Mass411.15
IUPAC Name2-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
SMILESCCN/C(=N\CCOc1ncccc1Cl)N(C)Cc1csc(C(C)OC)n1
InChIInChI=1S/C18H26ClN5O2S/c1-5-20-18(22-9-10-26-16-15(19)7-6-8-21-16)24(3)11-14-12-27-17(23-14)13(2)25-4/h6-8,12-13H,5,9-11H2,1-4H3,(H,20,22)
InChIKeyDWDLFMRMUPCNFI-UHFFFAOYSA-N
XLogP3.38
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.96
LogP ≤ 53.38
H-Bond Donors ≤ 51
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'}

Analyze 2-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine 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

3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-[2-(4-methoxyphenoxy)ethyl]-1-methylguanidine;hydroiodide
CID 109455555
3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methyl-2-propylguanidine
CID 109456260
2-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
CID 109456196
2-(3-ethoxypropyl)-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
CID 109456876
2-(3-anilinopropyl)-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
CID 109456626
3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methyl-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 109455497
2-[3-(cyclopropylmethoxy)propyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine
CID 109455890
2-[2-[cyclopentyl(methyl)amino]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine;hydroiodide
CID 109457083
3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-[(4-methoxyphenyl)methyl]-1-methylguanidine
CID 109455226
3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methyl-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine
CID 109455842
2-[2-(diethylamino)propyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine;hydroiodide
CID 109457195
3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-2-(2-methoxy-2-methylpropyl)-1-methylguanidine
CID 109454704

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine?
The IUPAC name of 2-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine (CID 109454700) is 2-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine.
What is the SMILES notation for 2-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine?
The canonical SMILES for 2-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine is CCN/C(=N\CCOc1ncccc1Cl)N(C)Cc1csc(C(C)OC)n1.
What is the InChIKey of 2-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine?
The InChIKey is DWDLFMRMUPCNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN5O2S/c1-5-20-18(22-9-10-26-16-15(19)7-6-8-21-16)24(3)11-14-12-27-17(23-14)13(2)25-4/h6-8,12-13H,5,9-11H2,1-4H3,(H,20,22).
What are the key properties of 2-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine?
2-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine has a molecular weight of 411.96 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-ethyl-1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1-methylguanidine is sourced from PubChem (CID 109454700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).