N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide

C15H26N4S2 — CID 109485344

IUPACN,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1csc(CC)n1)N1CCSC(CC)C1
InChIInChI=1S/C15H26N4S2/c1-4-13-10-19(7-8-20-13)15(16-6-3)17-9-12-11-21-14(5-2)18-12/h11,13H,4-10H2,1-3H3,(H,16,17)
InChIKeyALIHXQIKJIJMOZ-UHFFFAOYSA-N
MW326.54 g/mol
LogP3.00
Rot. Bonds5

About N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide

N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide (PubChem CID 109485344) has the molecular formula C15H26N4S2 and a molecular weight of 326.54 g/mol. Its IUPAC name is N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide
PubChem CID109485344
Molecular FormulaC15H26N4S2
Molecular Weight326.54 g/mol
Exact Mass326.16
IUPAC NameN,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1csc(CC)n1)N1CCSC(CC)C1
InChIInChI=1S/C15H26N4S2/c1-4-13-10-19(7-8-20-13)15(16-6-3)17-9-12-11-21-14(5-2)18-12/h11,13H,4-10H2,1-3H3,(H,16,17)
InChIKeyALIHXQIKJIJMOZ-UHFFFAOYSA-N
XLogP3.00
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.54
LogP ≤ 53.00
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,2-diethyl-N'-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109486609
N,2-diethyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thiomorpholine-4-carboximidamide
CID 109486174
N,2-diethyl-N'-(thiophen-2-ylmethyl)thiomorpholine-4-carboximidamide
CID 109485860
N'-benzyl-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486214
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486056
N,2-diethyl-N'-propylthiomorpholine-4-carboximidamide
CID 109486532
N,2-diethyl-N'-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485307
N,2-diethyl-N'-[(2-methylpyrazol-3-yl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485519
N,2-diethyl-N'-[[2-(hydroxymethyl)phenyl]methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 109485249
N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153251
N,2-diethyl-N'-[(4-morpholin-4-ylphenyl)methyl]thiomorpholine-4-carboximidamide
CID 109484666
N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N,2-diethylthiomorpholine-4-carboximidamide
CID 109486994

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide?
The IUPAC name of N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide (CID 109485344) is N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide.
What is the SMILES notation for N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide?
The canonical SMILES for N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide is CCN/C(=N\Cc1csc(CC)n1)N1CCSC(CC)C1.
What is the InChIKey of N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide?
The InChIKey is ALIHXQIKJIJMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4S2/c1-4-13-10-19(7-8-20-13)15(16-6-3)17-9-12-11-21-14(5-2)18-12/h11,13H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide?
N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide has a molecular weight of 326.54 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N'-[(2-ethyl-1,3-thiazol-4-yl)methyl]thiomorpholine-4-carboximidamide is sourced from PubChem (CID 109485344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).