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

C13H22N4OS — CID 120661472

IUPACN'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylmorpholine-4-carboximidamide
SMILESCCc1nc(CC/N=C(\N)N2CCOC(C)C2)cs1
InChIInChI=1S/C13H22N4OS/c1-3-12-16-11(9-19-12)4-5-15-13(14)17-6-7-18-10(2)8-17/h9-10H,3-8H2,1-2H3,(H2,14,15)
InChIKeyJGVJDKYQDAFNJP-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.28
Rot. Bonds4

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

N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120661472) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120661472
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylmorpholine-4-carboximidamide
SMILESCCc1nc(CC/N=C(\N)N2CCOC(C)C2)cs1
InChIInChI=1S/C13H22N4OS/c1-3-12-16-11(9-19-12)4-5-15-13(14)17-6-7-18-10(2)8-17/h9-10H,3-8H2,1-2H3,(H2,14,15)
InChIKeyJGVJDKYQDAFNJP-UHFFFAOYSA-N
XLogP1.28
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.28
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-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperidine-1-carboximidamide
CID 110927708
N'-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661628
2-methyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661149
N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120661882
2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide
CID 166222802
N-ethyl-N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3,5-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153251
2-methyl-N'-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661665
N'-[2-(tert-butylamino)ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661618
2-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661143
N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661477
2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide
CID 120661644
2-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661971

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylmorpholine-4-carboximidamide (CID 120661472) is N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylmorpholine-4-carboximidamide is CCc1nc(CC/N=C(\N)N2CCOC(C)C2)cs1.
What is the InChIKey of N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is JGVJDKYQDAFNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-3-12-16-11(9-19-12)4-5-15-13(14)17-6-7-18-10(2)8-17/h9-10H,3-8H2,1-2H3,(H2,14,15).
What are the key properties of N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylmorpholine-4-carboximidamide?
N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 282.41 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120661472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).