1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine

C18H26N4OS — CID 111893255

IUPAC1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(OC(C)C)nc1)NCc1sccc1C
InChIInChI=1S/C18H26N4OS/c1-5-19-18(22-12-16-14(4)8-9-24-16)21-11-15-6-7-17(20-10-15)23-13(2)3/h6-10,13H,5,11-12H2,1-4H3,(H2,19,21,22)
InChIKeyFEDQLYIHAHQPDD-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.49
Rot. Bonds7

About 1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine

1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine (PubChem CID 111893255) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
PubChem CID111893255
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
SMILESCCN/C(=N\Cc1ccc(OC(C)C)nc1)NCc1sccc1C
InChIInChI=1S/C18H26N4OS/c1-5-19-18(22-12-16-14(4)8-9-24-16)21-11-15-6-7-17(20-10-15)23-13(2)3/h6-10,13H,5,11-12H2,1-4H3,(H2,19,21,22)
InChIKeyFEDQLYIHAHQPDD-UHFFFAOYSA-N
XLogP3.49
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.49
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'}

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Related Compounds

1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 111894123
2-[[6-(2,6-dimethoxyphenoxy)-3-pyridinyl]methyl]-1-ethyl-3-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111893050
1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[[4-(propan-2-yloxymethyl)phenyl]methyl]guanidine
CID 111893015
1-ethyl-2-[(4-hydroxyphenyl)methyl]-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111987601
2-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-ethyl-3-[(3-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111894124
1-cyclopropyl-3-ethyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 110988306
1-(2,2-diethyl-4-hydroxybutyl)-3-ethyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 111716088
2-[[N-ethyl-N'-[(6-propan-2-yloxy-3-pyridinyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365528
1-ethyl-3-[2-(2-hydroxyethyl)-4-methylpentyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 111714782
1-ethyl-3-(2-methylcyclopropyl)-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111961038
methyl N-[4-[[[ethylamino-[(3-methylthiophen-2-yl)methylamino]methylidene]amino]methyl]phenyl]carbamate
CID 111894083
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-3-ethyl-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111701744

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine (CID 111893255) is 1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine is CCN/C(=N\Cc1ccc(OC(C)C)nc1)NCc1sccc1C.
What is the InChIKey of 1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine?
The InChIKey is FEDQLYIHAHQPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-5-19-18(22-12-16-14(4)8-9-24-16)21-11-15-6-7-17(20-10-15)23-13(2)3/h6-10,13H,5,11-12H2,1-4H3,(H2,19,21,22).
What are the key properties of 1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine?
1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine has a molecular weight of 346.50 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-methylthiophen-2-yl)methyl]-2-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111893255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).