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

C16H28N4S — CID 111511006

IUPACN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide
SMILESCCc1cnc(CCN/C(=N\C)N2CC(C)CC(C)C2)s1
InChIInChI=1S/C16H28N4S/c1-5-14-9-19-15(21-14)6-7-18-16(17-4)20-10-12(2)8-13(3)11-20/h9,12-13H,5-8,10-11H2,1-4H3,(H,17,18)
InChIKeyRUTXHTRYCYWZDL-UHFFFAOYSA-N
MW308.50 g/mol
LogP2.80
Rot. Bonds4

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

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide (PubChem CID 111511006) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide
PubChem CID111511006
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC NameN-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide
SMILESCCc1cnc(CCN/C(=N\C)N2CC(C)CC(C)C2)s1
InChIInChI=1S/C16H28N4S/c1-5-14-9-19-15(21-14)6-7-18-16(17-4)20-10-12(2)8-13(3)11-20/h9,12-13H,5-8,10-11H2,1-4H3,(H,17,18)
InChIKeyRUTXHTRYCYWZDL-UHFFFAOYSA-N
XLogP2.80
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 52.80
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

N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111511005
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111465752
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111512349
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481603
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109441593
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-4-pyridin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111512727
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111511341
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 111495333
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111512833
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N'-methyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide
CID 111512696
1-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111533005
N-ethyl-3,5-dimethyl-N'-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboximidamide
CID 111154095

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide?
The IUPAC name of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide (CID 111511006) is N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide.
What is the SMILES notation for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide?
The canonical SMILES for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide is CCc1cnc(CCN/C(=N\C)N2CC(C)CC(C)C2)s1.
What is the InChIKey of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide?
The InChIKey is RUTXHTRYCYWZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-5-14-9-19-15(21-14)6-7-18-16(17-4)20-10-12(2)8-13(3)11-20/h9,12-13H,5-8,10-11H2,1-4H3,(H,17,18).
What are the key properties of N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide?
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide has a molecular weight of 308.50 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111511006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).