1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine

C11H19N3S — CID 111953365

IUPAC1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine
SMILESCCN/C(=N\C)NCc1ccc(CC)s1
InChIInChI=1S/C11H19N3S/c1-4-9-6-7-10(15-9)8-14-11(12-3)13-5-2/h6-7H,4-5,8H2,1-3H3,(H2,12,13,14)
InChIKeyMBSZTMSUQOECBC-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.00
Rot. Bonds4

About 1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine

1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine (PubChem CID 111953365) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine
PubChem CID111953365
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine
SMILESCCN/C(=N\C)NCc1ccc(CC)s1
InChIInChI=1S/C11H19N3S/c1-4-9-6-7-10(15-9)8-14-11(12-3)13-5-2/h6-7H,4-5,8H2,1-3H3,(H2,12,13,14)
InChIKeyMBSZTMSUQOECBC-UHFFFAOYSA-N
XLogP2.00
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-[[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111956581
1-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111001803
1-(2-ethoxyethyl)-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine
CID 111896253
1-[(5-ethylthiophen-2-yl)methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111231050
N-ethyl-2-[[ethylamino-[(5-ethylthiophen-2-yl)methylamino]methylidene]amino]acetamide
CID 111957001
1-[2-(diethylamino)propyl]-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine
CID 111956597
1-[2-(dimethylamino)-2-methylpropyl]-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine
CID 111956817
1-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 119116973
N-[2-[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111928531
1-(2-butoxyethyl)-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine
CID 111957913
1-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 111609805
1-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134782

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine (CID 111953365) is 1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine is CCN/C(=N\C)NCc1ccc(CC)s1.
What is the InChIKey of 1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine?
The InChIKey is MBSZTMSUQOECBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-9-6-7-10(15-9)8-14-11(12-3)13-5-2/h6-7H,4-5,8H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine?
1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine has a molecular weight of 225.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 111953365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).