1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide

C15H22IN3S2 — CID 111350617

IUPAC1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCc1cccs1)NCCc1cccs1.I
InChIInChI=1S/C15H21N3S2.HI/c1-2-16-15(17-9-7-13-5-3-11-19-13)18-10-8-14-6-4-12-20-14;/h3-6,11-12H,2,7-10H2,1H3,(H2,16,17,18);1H
InChIKeyHXCMCTJRZDZVKS-UHFFFAOYSA-N
MW435.40 g/mol
LogP3.77
Rot. Bonds7

About 1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide

1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide (PubChem CID 111350617) has the molecular formula C15H22IN3S2 and a molecular weight of 435.40 g/mol. Its IUPAC name is 1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide
PubChem CID111350617
Molecular FormulaC15H22IN3S2
Molecular Weight435.40 g/mol
Exact Mass435.03
IUPAC Name1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCc1cccs1)NCCc1cccs1.I
InChIInChI=1S/C15H21N3S2.HI/c1-2-16-15(17-9-7-13-5-3-11-19-13)18-10-8-14-6-4-12-20-14;/h3-6,11-12H,2,7-10H2,1H3,(H2,16,17,18);1H
InChIKeyHXCMCTJRZDZVKS-UHFFFAOYSA-N
XLogP3.77
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-[2-[[N-ethyl-N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111349875
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349083
1-ethyl-3-[2-(3-hydroxyphenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111351449
1-ethyl-2-(2-sulfamoylethyl)-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111351289
1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350969
1-ethyl-2-[2-(3-methylbutoxy)ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349511
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 109392453
1-ethyl-3-[2-(4-sulfamoylphenyl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111348765
1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349001
1-ethyl-2-(5-methoxypentyl)-3-(2-thiophen-2-ylethyl)guanidine
CID 111351434
1-ethyl-2-[3-(4-hydroxyphenyl)propyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111796451
1-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111349647

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide (CID 111350617) is 1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide is CCN/C(=N\CCc1cccs1)NCCc1cccs1.I.
What is the InChIKey of 1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide?
The InChIKey is HXCMCTJRZDZVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S2.HI/c1-2-16-15(17-9-7-13-5-3-11-19-13)18-10-8-14-6-4-12-20-14;/h3-6,11-12H,2,7-10H2,1H3,(H2,16,17,18);1H.
What are the key properties of 1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide?
1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide has a molecular weight of 435.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111350617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).