2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide

C14H26N6S — CID 109485640

IUPAC2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide
SMILESCCc1nncn1CCN/C(=N\C)N1CCSC(CC)C1
InChIInChI=1S/C14H26N6S/c1-4-12-10-19(8-9-21-12)14(15-3)16-6-7-20-11-17-18-13(20)5-2/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyIAJIBMAGYMLLEH-UHFFFAOYSA-N
MW310.47 g/mol
LogP1.24
Rot. Bonds5

About 2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide

2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide (PubChem CID 109485640) has the molecular formula C14H26N6S and a molecular weight of 310.47 g/mol. Its IUPAC name is 2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide
PubChem CID109485640
Molecular FormulaC14H26N6S
Molecular Weight310.47 g/mol
Exact Mass310.19
IUPAC Name2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide
SMILESCCc1nncn1CCN/C(=N\C)N1CCSC(CC)C1
InChIInChI=1S/C14H26N6S/c1-4-12-10-19(8-9-21-12)14(15-3)16-6-7-20-11-17-18-13(20)5-2/h11-12H,4-10H2,1-3H3,(H,15,16)
InChIKeyIAJIBMAGYMLLEH-UHFFFAOYSA-N
XLogP1.24
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide 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

N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111465836
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111512515
2-ethyl-N'-methyl-N-(2-pyrazol-1-ylethyl)thiomorpholine-4-carboximidamide
CID 109485606
2-ethyl-N'-methyl-N-propylthiomorpholine-4-carboximidamide;hydroiodide
CID 109484695
2-ethyl-N'-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]thiomorpholine-4-carboximidamide
CID 109486746
2-ethyl-N'-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109486745
2-ethyl-N-[2-[ethyl(propyl)amino]ethyl]-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485723
2-ethyl-N-(3-fluoropropyl)-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109487037
N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-4-(2-fluorophenyl)-N'-methylpiperazine-1-carboximidamide
CID 111510877
4-(2,3-dimethylphenyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111513105
2-ethyl-N'-methyl-N-[2-(2-methylpiperidin-1-yl)ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109487101
2-ethyl-N'-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)thiomorpholine-4-carboximidamide
CID 109485302

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide?
The IUPAC name of 2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide (CID 109485640) is 2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide.
What is the SMILES notation for 2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide?
The canonical SMILES for 2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide is CCc1nncn1CCN/C(=N\C)N1CCSC(CC)C1.
What is the InChIKey of 2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide?
The InChIKey is IAJIBMAGYMLLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6S/c1-4-12-10-19(8-9-21-12)14(15-3)16-6-7-20-11-17-18-13(20)5-2/h11-12H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide?
2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide has a molecular weight of 310.47 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 109485640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).