4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide

C15H23ClN4OS — CID 110962873

IUPAC4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccc(Cl)s1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H23ClN4OS/c1-3-17-15(18-7-6-13-4-5-14(16)22-13)20-10-8-19(9-11-20)12(2)21/h4-5H,3,6-11H2,1-2H3,(H,17,18)
InChIKeyZNVGFTAMCAFADQ-UHFFFAOYSA-N
MW342.90 g/mol
LogP2.07
Rot. Bonds4

About 4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide

4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide (PubChem CID 110962873) has the molecular formula C15H23ClN4OS and a molecular weight of 342.90 g/mol. Its IUPAC name is 4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide
PubChem CID110962873
Molecular FormulaC15H23ClN4OS
Molecular Weight342.90 g/mol
Exact Mass342.13
IUPAC Name4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1ccc(Cl)s1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H23ClN4OS/c1-3-17-15(18-7-6-13-4-5-14(16)22-13)20-10-8-19(9-11-20)12(2)21/h4-5H,3,6-11H2,1-2H3,(H,17,18)
InChIKeyZNVGFTAMCAFADQ-UHFFFAOYSA-N
XLogP2.07
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.90
LogP ≤ 52.07
H-Bond Donors ≤ 51
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

4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide
CID 110963755
4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide
CID 110963811
N-[2-[[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide
CID 111358856
4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide
CID 111493554
4-acetyl-N'-[2-(4-chlorophenoxy)ethyl]-N-ethylpiperazine-1-carboximidamide
CID 110962823
4-acetyl-N'-[2-(2,6-difluorophenyl)ethyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110962698
4-acetyl-N'-[2-(4-chlorophenyl)sulfanylethyl]-N-ethylpiperazine-1-carboximidamide
CID 110963603
4-acetyl-N-ethyl-N'-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboximidamide
CID 110963439
ethyl 4-[N-[2-(5-chlorothiophen-2-yl)ethyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111162821
N-[2-[[N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927251
4-acetyl-N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 110963059
4-acetyl-N-ethyl-N'-[2-(4-sulfamoylphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 110963164

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide (CID 110962873) is 4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide is CCN/C(=N\CCc1ccc(Cl)s1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide?
The InChIKey is ZNVGFTAMCAFADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4OS/c1-3-17-15(18-7-6-13-4-5-14(16)22-13)20-10-8-19(9-11-20)12(2)21/h4-5H,3,6-11H2,1-2H3,(H,17,18).
What are the key properties of 4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide?
4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide has a molecular weight of 342.90 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide is sourced from PubChem (CID 110962873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).