2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide

C15H19IN4OS — CID 111073642

IUPAC2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)Nc1ccccc1)NCCc1cccs1
InChIInChI=1S/C15H18N4OS.HI/c16-15(17-9-8-13-7-4-10-21-13)18-11-14(20)19-12-5-2-1-3-6-12;/h1-7,10H,8-9,11H2,(H,19,20)(H3,16,17,18);1H
InChIKeyXFZKYRAJQNRDDV-UHFFFAOYSA-N
MW430.32 g/mol
LogP2.45
Rot. Bonds6

About 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide

2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide (PubChem CID 111073642) has the molecular formula C15H19IN4OS and a molecular weight of 430.32 g/mol. Its IUPAC name is 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
PubChem CID111073642
Molecular FormulaC15H19IN4OS
Molecular Weight430.32 g/mol
Exact Mass430.03
IUPAC Name2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
SMILESI.N/C(=N\CC(=O)Nc1ccccc1)NCCc1cccs1
InChIInChI=1S/C15H18N4OS.HI/c16-15(17-9-8-13-7-4-10-21-13)18-11-14(20)19-12-5-2-1-3-6-12;/h1-7,10H,8-9,11H2,(H,19,20)(H3,16,17,18);1H
InChIKeyXFZKYRAJQNRDDV-UHFFFAOYSA-N
XLogP2.45
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.32
LogP ≤ 52.45
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-(4-fluorophenyl)acetamide;hydroiodide
CID 111089306
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
2-[[amino-(2-phenylethylamino)methylidene]amino]-N-phenylacetamide
CID 111073617
2-(3-phenylpropyl)-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111024901
2-(2-oxo-2-pyrrolidin-1-ylethyl)-1-(2-thiophen-2-ylethyl)guanidine
CID 111040264
N-[3-[[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide;hydroiodide
CID 111054322
2-butyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
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CID 46354001
2-pentyl-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111022609
2-[(2-methyltetrazol-5-yl)methyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 120603223
N'-(2-thiophen-2-ylethyl)oxamide
CID 115192053

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide?
The IUPAC name of 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide (CID 111073642) is 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide.
What is the SMILES notation for 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide?
The canonical SMILES for 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide is I.N/C(=N\CC(=O)Nc1ccccc1)NCCc1cccs1.
What is the InChIKey of 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide?
The InChIKey is XFZKYRAJQNRDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS.HI/c16-15(17-9-8-13-7-4-10-21-13)18-11-14(20)19-12-5-2-1-3-6-12;/h1-7,10H,8-9,11H2,(H,19,20)(H3,16,17,18);1H.
What are the key properties of 2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide?
2-[[amino-(2-thiophen-2-ylethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide has a molecular weight of 430.32 g/mol, XLogP of 2.45, 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-phenylacetamide;hydroiodide is sourced from PubChem (CID 111073642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).