1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-thiophen-2-ylethyl)guanidine

C17H24N4S — CID 109402547

IUPAC1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-thiophen-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccncc1C)NC(C)c1cccs1
InChIInChI=1S/C17H24N4S/c1-4-19-17(21-14(3)16-6-5-11-22-16)20-10-8-15-7-9-18-12-13(15)2/h5-7,9,11-12,14H,4,8,10H2,1-3H3,(H2,19,20,21)
InChIKeyNUFMCUGXVALYIN-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.31
Rot. Bonds6

About 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-thiophen-2-ylethyl)guanidine

1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-thiophen-2-ylethyl)guanidine (PubChem CID 109402547) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-thiophen-2-ylethyl)guanidine
PubChem CID109402547
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-thiophen-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1ccncc1C)NC(C)c1cccs1
InChIInChI=1S/C17H24N4S/c1-4-19-17(21-14(3)16-6-5-11-22-16)20-10-8-15-7-9-18-12-13(15)2/h5-7,9,11-12,14H,4,8,10H2,1-3H3,(H2,19,20,21)
InChIKeyNUFMCUGXVALYIN-UHFFFAOYSA-N
XLogP3.31
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.31
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'}

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Related Compounds

1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-[3-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 109402462
1-[1-(3,4-diethoxyphenyl)ethyl]-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109402179
1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-[1-(3-pyrazol-1-ylphenyl)ethyl]guanidine
CID 109407453
1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-prop-2-enylguanidine
CID 136824011
1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 109402082
1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-(2-methyl-2-thiophen-2-ylpropyl)guanidine
CID 109403776
1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 109406808
1-ethyl-2-(2-methylpropyl)-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109401423
tert-butyl N-[2-[[N-ethyl-N'-[2-(3-methyl-4-pyridinyl)ethyl]carbamimidoyl]amino]ethyl]carbamate
CID 109406910
1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109404855
1-ethyl-2-[(3-hydroxyphenyl)methyl]-3-(1-thiophen-2-ylethyl)guanidine
CID 111331064
1-ethyl-3-[2-(3-methyl-4-pyridinyl)ethyl]-2-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 109404473

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-thiophen-2-ylethyl)guanidine (CID 109402547) is 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-thiophen-2-ylethyl)guanidine is CCN/C(=N\CCc1ccncc1C)NC(C)c1cccs1.
What is the InChIKey of 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-thiophen-2-ylethyl)guanidine?
The InChIKey is NUFMCUGXVALYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-4-19-17(21-14(3)16-6-5-11-22-16)20-10-8-15-7-9-18-12-13(15)2/h5-7,9,11-12,14H,4,8,10H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-thiophen-2-ylethyl)guanidine?
1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-thiophen-2-ylethyl)guanidine has a molecular weight of 316.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(3-methyl-4-pyridinyl)ethyl]-3-(1-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 109402547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).