1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide

C15H23IN4OS — CID 110051449

IUPAC1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)c1nccs1)NCCc1ccco1.I
InChIInChI=1S/C15H22N4OS.HI/c1-3-16-15(18-7-6-13-5-4-9-20-13)19-11-12(2)14-17-8-10-21-14;/h4-5,8-10,12H,3,6-7,11H2,1-2H3,(H2,16,18,19);1H
InChIKeyGHPZHKKYBHEMPB-UHFFFAOYSA-N
MW434.35 g/mol
LogP3.26
Rot. Bonds7

About 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide

1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide (PubChem CID 110051449) has the molecular formula C15H23IN4OS and a molecular weight of 434.35 g/mol. Its IUPAC name is 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
PubChem CID110051449
Molecular FormulaC15H23IN4OS
Molecular Weight434.35 g/mol
Exact Mass434.06
IUPAC Name1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)c1nccs1)NCCc1ccco1.I
InChIInChI=1S/C15H22N4OS.HI/c1-3-16-15(18-7-6-13-5-4-9-20-13)19-11-12(2)14-17-8-10-21-14;/h4-5,8-10,12H,3,6-7,11H2,1-2H3,(H2,16,18,19);1H
InChIKeyGHPZHKKYBHEMPB-UHFFFAOYSA-N
XLogP3.26
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.35
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide 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-2-[2-(furan-2-yl)ethyl]-1-methyl-1-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110061725
3-[2-(furan-2-yl)ethyl]-1-methyl-2-(2-methylpropyl)-1-[2-(1,3-thiazol-2-yl)propyl]guanidine
CID 110061720
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111353541
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 111353544
1-ethyl-2-(furan-2-ylmethyl)-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine;hydroiodide
CID 110937929
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(2-hydroxyethyl)-4-methylpentyl]guanidine
CID 111715418
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-(2-methoxy-3,3-dimethylbutyl)guanidine
CID 111710967
2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111785729
2-[3-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110051275
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111355527
1-ethyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(furan-2-yl)ethyl]guanidine
CID 111355844
3-[2-(furan-2-yl)ethyl]-1-methyl-2-(oxolan-2-ylmethyl)-1-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 110061707

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide (CID 110051449) is 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide is CCN/C(=N\CC(C)c1nccs1)NCCc1ccco1.I.
What is the InChIKey of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide?
The InChIKey is GHPZHKKYBHEMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS.HI/c1-3-16-15(18-7-6-13-5-4-9-20-13)19-11-12(2)14-17-8-10-21-14;/h4-5,8-10,12H,3,6-7,11H2,1-2H3,(H2,16,18,19);1H.
What are the key properties of 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide?
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide has a molecular weight of 434.35 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(furan-2-yl)ethyl]-2-[2-(1,3-thiazol-2-yl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 110051449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).