2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide

C15H18FIN4OS — CID 111089306

IUPAC2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)Nc1ccc(F)cc1)NCCc1cccs1
InChIInChI=1S/C15H17FN4OS.HI/c16-11-3-5-12(6-4-11)20-14(21)10-19-15(17)18-8-7-13-2-1-9-22-13;/h1-6,9H,7-8,10H2,(H,20,21)(H3,17,18,19);1H
InChIKeyYXJJJHVUDWALJN-UHFFFAOYSA-N
MW448.31 g/mol
LogP2.59
Rot. Bonds6

About 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide

2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide (PubChem CID 111089306) has the molecular formula C15H18FIN4OS and a molecular weight of 448.31 g/mol. Its IUPAC name is 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
PubChem CID111089306
Molecular FormulaC15H18FIN4OS
Molecular Weight448.31 g/mol
Exact Mass448.02
IUPAC Name2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)Nc1ccc(F)cc1)NCCc1cccs1
InChIInChI=1S/C15H17FN4OS.HI/c16-11-3-5-12(6-4-11)20-14(21)10-19-15(17)18-8-7-13-2-1-9-22-13;/h1-6,9H,7-8,10H2,(H,20,21)(H3,17,18,19);1H
InChIKeyYXJJJHVUDWALJN-UHFFFAOYSA-N
XLogP2.59
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.31
LogP ≤ 52.59
H-Bond Donors ≤ 53
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

2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111073642
2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(2-phenylethyl)acetamide;hydroiodide
CID 111090952
2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(3-ethynylphenyl)acetamide
CID 111073745
N-(4-fluorophenyl)-2-(2-thiophen-2-ylethylcarbamoylamino)acetamide
CID 134000912
2-[[amino(propylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111089279
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]azanium
CID 9040997
2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine
CID 111040264
2-[[amino-(2-methylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111089284
2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111023170
2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide
CID 111073617
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 4-fluorobenzoate
CID 8861267
N-(4-fluorophenyl)-5-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]sulfanyl-1,3,4-thiadiazole-2-carboxamide
CID 46327812

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The IUPAC name of 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide (CID 111089306) is 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide is I.N/C(=N\CC(=O)Nc1ccc(F)cc1)NCCc1cccs1.
What is the InChIKey of 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
The InChIKey is YXJJJHVUDWALJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS.HI/c16-11-3-5-12(6-4-11)20-14(21)10-19-15(17)18-8-7-13-2-1-9-22-13;/h1-6,9H,7-8,10H2,(H,20,21)(H3,17,18,19);1H.
What are the key properties of 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide?
2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide has a molecular weight of 448.31 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide is sourced from PubChem (CID 111089306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).