1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine

C18H24N6OS — CID 111951795

IUPAC1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1c(C)nn(C)c1C)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C18H24N6OS/c1-5-19-18(21-10-15-12(2)23-24(4)13(15)3)20-9-14-11-25-17(22-14)16-7-6-8-26-16/h6-8,11H,5,9-10H2,1-4H3,(H2,19,20,21)
InChIKeyATDGWOJEBDZBEM-UHFFFAOYSA-N
MW372.50 g/mol
LogP3.01
Rot. Bonds6

About 1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine

1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine (PubChem CID 111951795) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is 1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
PubChem CID111951795
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
SMILESCCN/C(=N\Cc1c(C)nn(C)c1C)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C18H24N6OS/c1-5-19-18(21-10-15-12(2)23-24(4)13(15)3)20-9-14-11-25-17(22-14)16-7-6-8-26-16/h6-8,11H,5,9-10H2,1-4H3,(H2,19,20,21)
InChIKeyATDGWOJEBDZBEM-UHFFFAOYSA-N
XLogP3.01
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111954766
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111176185
1-ethyl-3-(2-methyl-2-methylsulfanylpropyl)-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111611467
1-ethyl-3-(2-methyl-3-thiophen-2-ylpropyl)-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine
CID 111674190
1-ethyl-3-(3-methylbutan-2-yl)-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine
CID 111000997
1-ethyl-3-(pyridin-2-ylmethyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111547549
1-ethyl-3-(2-methoxyethyl)-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 110940051
1-ethyl-3-hexyl-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111161034
2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine
CID 111843696
2-[[2-(difluoromethoxy)phenyl]methyl]-1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111865835
1,3-diethyl-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111465939
1-ethyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111586870

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine (CID 111951795) is 1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine is CCN/C(=N\Cc1c(C)nn(C)c1C)NCc1coc(-c2cccs2)n1.
What is the InChIKey of 1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
The InChIKey is ATDGWOJEBDZBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-5-19-18(21-10-15-12(2)23-24(4)13(15)3)20-9-14-11-25-17(22-14)16-7-6-8-26-16/h6-8,11H,5,9-10H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine?
1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine has a molecular weight of 372.50 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine is sourced from PubChem (CID 111951795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).