2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide

C9H21IN4O3S — CID 110930274

IUPAC2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CCN1CCCS1(=O)=O.I
InChIInChI=1S/C9H20N4O3S.HI/c1-16-7-4-12-9(10)11-3-6-13-5-2-8-17(13,14)15;/h2-8H2,1H3,(H3,10,11,12);1H
InChIKeyQITCBLLCBAYUBI-UHFFFAOYSA-N
MW392.26 g/mol
LogP-0.81
Rot. Bonds6

About 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide

2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide (PubChem CID 110930274) has the molecular formula C9H21IN4O3S and a molecular weight of 392.26 g/mol. Its IUPAC name is 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide
PubChem CID110930274
Molecular FormulaC9H21IN4O3S
Molecular Weight392.26 g/mol
Exact Mass392.04
IUPAC Name2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide
SMILESCOCCN/C(N)=N/CCN1CCCS1(=O)=O.I
InChIInChI=1S/C9H20N4O3S.HI/c1-16-7-4-12-9(10)11-3-6-13-5-2-8-17(13,14)15;/h2-8H2,1H3,(H3,10,11,12);1H
InChIKeyQITCBLLCBAYUBI-UHFFFAOYSA-N
XLogP-0.81
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(4-methoxyphenyl)guanidine
CID 111091424
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111894907
1-(2-cycloheptyloxyethyl)-2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111576452
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111091466
1-(2-methoxyethyl)-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 51131494
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-ethyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111005490
1-(2-methoxyethyl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 110927538
1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111228110
1-cyclopentyl-2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 110991022
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine
CID 119121081
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
ethyl 4-[[N'-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111329717

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide (CID 110930274) is 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide is COCCN/C(N)=N/CCN1CCCS1(=O)=O.I.
What is the InChIKey of 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
The InChIKey is QITCBLLCBAYUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O3S.HI/c1-16-7-4-12-9(10)11-3-6-13-5-2-8-17(13,14)15;/h2-8H2,1H3,(H3,10,11,12);1H.
What are the key properties of 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide?
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide has a molecular weight of 392.26 g/mol, XLogP of -0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-(2-methoxyethyl)guanidine;hydroiodide is sourced from PubChem (CID 110930274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).