4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide

C16H27N5OS — CID 111493554

IUPAC4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1ncc(CC)s1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C16H27N5OS/c1-4-14-12-19-15(23-14)6-7-18-16(17-5-2)21-10-8-20(9-11-21)13(3)22/h12H,4-11H2,1-3H3,(H,17,18)
InChIKeyDPIXULIBDSWNCQ-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.38
Rot. Bonds5

About 4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide

4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide (PubChem CID 111493554) has the molecular formula C16H27N5OS and a molecular weight of 337.49 g/mol. Its IUPAC name is 4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide
PubChem CID111493554
Molecular FormulaC16H27N5OS
Molecular Weight337.49 g/mol
Exact Mass337.19
IUPAC Name4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide
SMILESCCN/C(=N\CCc1ncc(CC)s1)N1CCN(C(C)=O)CC1
InChIInChI=1S/C16H27N5OS/c1-4-14-12-19-15(23-14)6-7-18-16(17-5-2)21-10-8-20(9-11-21)13(3)22/h12H,4-11H2,1-3H3,(H,17,18)
InChIKeyDPIXULIBDSWNCQ-UHFFFAOYSA-N
XLogP1.38
TPSA60.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.38
H-Bond Donors ≤ 51
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

N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(2-methylpropyl)piperazine-1-carboximidamide;hydroiodide
CID 111516146
N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboximidamide
CID 111518397
N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119157407
N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboximidamide
CID 111493048
4-acetyl-N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 110963059
4-acetyl-N'-[2-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperazine-1-carboximidamide
CID 110962873
N-[2-[[N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]carbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111533482
4-acetyl-N-ethyl-N'-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperazine-1-carboximidamide
CID 110963811
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111520646
2-[4-[N-ethyl-N'-[(5-ethyl-1,3-thiazol-2-yl)methyl]carbamimidoyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 111519392
4-acetyl-N'-[2-[5-(diethylsulfamoyl)thiophen-2-yl]ethyl]-N-ethylpiperazine-1-carboximidamide
CID 110963755
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111465752

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide?
The IUPAC name of 4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide (CID 111493554) is 4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide is CCN/C(=N\CCc1ncc(CC)s1)N1CCN(C(C)=O)CC1.
What is the InChIKey of 4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide?
The InChIKey is DPIXULIBDSWNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5OS/c1-4-14-12-19-15(23-14)6-7-18-16(17-5-2)21-10-8-20(9-11-21)13(3)22/h12H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide?
4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide has a molecular weight of 337.49 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-ethyl-N'-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111493554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).