1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine

C17H26N4O2S — CID 111399983

IUPAC1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CCCOCc1ccco1)NCCc1csc(C)n1
InChIInChI=1S/C17H26N4O2S/c1-3-18-17(20-9-7-15-13-24-14(2)21-15)19-8-5-10-22-12-16-6-4-11-23-16/h4,6,11,13H,3,5,7-10,12H2,1-2H3,(H2,18,19,20)
InChIKeyNNPJWTUOQRFSCH-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.75
Rot. Bonds10

About 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine

1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine (PubChem CID 111399983) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
PubChem CID111399983
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CCCOCc1ccco1)NCCc1csc(C)n1
InChIInChI=1S/C17H26N4O2S/c1-3-18-17(20-9-7-15-13-24-14(2)21-15)19-8-5-10-22-12-16-6-4-11-23-16/h4,6,11,13H,3,5,7-10,12H2,1-2H3,(H2,18,19,20)
InChIKeyNNPJWTUOQRFSCH-UHFFFAOYSA-N
XLogP2.75
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine 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-ethyl-2-[3-(2-methylpropoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 111402200
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-pentylguanidine
CID 111128283
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(4-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111169126
2-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111965239
1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]guanidine;hydroiodide
CID 111399934
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111400309
2-(3-cyclopentyloxypropyl)-1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111932726
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(4-methoxyphenoxy)ethyl]guanidine
CID 111399243
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111247939
1-ethyl-3-[3-(ethylsulfonylamino)propyl]-2-[3-(furan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111400152
N-[2-[[N-ethyl-N'-[3-(furan-2-ylmethoxy)propyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide
CID 111399205
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[[2-(propoxymethyl)phenyl]methyl]guanidine
CID 111934073

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine (CID 111399983) is 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine is CCN/C(=N\CCCOCc1ccco1)NCCc1csc(C)n1.
What is the InChIKey of 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
The InChIKey is NNPJWTUOQRFSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-3-18-17(20-9-7-15-13-24-14(2)21-15)19-8-5-10-22-12-16-6-4-11-23-16/h4,6,11,13H,3,5,7-10,12H2,1-2H3,(H2,18,19,20).
What are the key properties of 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine?
1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine has a molecular weight of 350.49 g/mol, XLogP of 2.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-(furan-2-ylmethoxy)propyl]-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 111399983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).